New REAL Space Navigator Breaks Billion Compound Barrier

Enamine Ltd., a leading compound supplier and BioSolveIT GmbH, a premium provider of drug discovery software, today announced the availability of the next generation of REAL Space Navigator, an efficient search tool within the world’s largest purchasable chemical space. Originally launched in February this year, REAL Space Navigator in its Version 2 now offers ‘search and find’ access to an incredible 3.8 billion small molecular weight compounds ready for purchase.

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Searching databases of commercially available compounds is a standard approach to advance hit compounds. However, the global stock of screening compounds has already been largely explored, making the identification of new and promising lead molecules difficult and the need for fast access to novel compounds – increasingly necessary.

Using BioSolveIT’s unique software technology REAL Space Navigator efficiently assembles synthetically feasible molecules based on similarity to the query molecule, combining Enamine’s building blocks in an appropriate- predefined by Enamine - way. This allows researchers to explore chemical space beyond the capacity of current, conventional search methods.

The next generation of REAL Space Navigator was developed by adding new transformations and building blocks to increase REAL (REadily AccessibLe) compound space and streamlining the software to further speed up access to the giant virtual catalog delivering results within just a few minutes on a standard PC.

Michael Bossert, Head of Strategic Alliances at Enamine commented : “The vast size and speed of development of the search space has exceeded our own expectations and is game changing in terms of access to novel molecules and associated IP value. With almost 4bn compounds to pick from and stunning speed of synthesis within three weeks from order, we have opened the door to a new way of drug discovery with unprecedented cycle times. The immediate uptake by our clients highlights that we are really addressing an as yet unmet need."

Dr. Christian Lemmen, CEO at BioSolveIT, added: "REAL Space Navigator Version 2 not only breaks the nine-digit barrier, but now enters spaces that may not even be enumerated, let alone mined, by conventional methods. The user experience is unique. Searches which are 100% secure behind the firewall complete within minutes, tapping into a universe of possibilities to generate novel therapeutics.”

Enamine and BioSolveIT will be presenting the results of their successful collaboration at EFMC-ISMC 2018 conference in Ljubljana, Slovenia - September 2-6, 2018. For further information on REAL Space Navigator, visit: www.biosolveit.de/REALSpaceNavigator.

About Enamine Ltd. http://www.enamine.net

Established in Kiev, Ukraine in 1991, Enamine is a chemical company producing building blocks and screening libraries of world reputation. The major asset of the company is the world's largest collection of building blocks: 150,000 in stock with 2,000 additions synthesized each month. These research functionalized compounds provide a significant competitive advantage to the company in supplying custom compound libraries particularly in the frame of medicinal chemistry collaborations or compound collection enhancement programs. Enamine’s REAL (readily accessible) concept is based on the careful and knowledge-guided enumeration and selection of compounds that can be confidently produced from the stock building blocks using over 160 validated reaction procedures.

About BioSolveIT GmbH www.biosolveit.com

BioSolveIT is a global medicinal chemistry informatics and services company. The company is highly renowned for its superior custom software solutions for affinity estimation, structure-based design, docking, flexible molecular alignment, database searching, library design, and analysis. BioSolveIT’s visual and fast computational technologies hold several world records and have a proven track record in helping to innovate pharmaceutical research in almost all the big pharma, amongst them AstraZeneca, F.A. Hoffmann-La Roche, BASF, Bayer, Boehringer-Ingelheim, GSK, Novartis, Zealand Pharma, Pfizer, Sanofi, and many others.

BioSolveIT is based in Sankt Augustin, Germany, with a support and sales office in Seattle, USA, and several distribution partner offices in Japan, China, and India.

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Contact information

Enamine
Michael Bossert, +38 044 537 32 18
Head of Strategic Alliances
m.bossert@enamine.net
or
BioSolveIT
Dr. Marcus Gastreich, +49 2241 25 25 0
Director Application Science
contact@biosolveit.com,
or
Media enquiries
Zyme Communications
Sarah Jeffery, +44 7771 730919
sarah.jeffery@zymecommunications.com