Enamine, a chemical research organisation and producer of the world’s largest collections of novel building blocks (150,000) and screening compound libraries (2,400,000), and BioSolveIT, premium provider of medicinal chemistry software, have announced the launch of the ‘REAL Space Navigator’.
Jointly developed, the new software tool capitalises on Enamine’s REAL (readily accessible) virtual compound concept and provides efficient ‘search & find’ access to more than 640 million pharma-oriented molecules, to date the world's largest chemical space of commercially accessible compounds.
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.
Michael Bossert, head of strategic alliances at Enamine, commented: ‘The drug discovery industry has an enormous interest in new chemical compounds. Our REAL concept provides an efficient solution for virtual screening initiatives and analog searches to our clients, who appreciate going beyond the availability bias. BioSolveIT’s fantastic team and its exceptional software platforms have already expanded the borders of Enamine’s REAL database. We will continue to evolve this and hope to put billions of our future tangible molecules at researchers’ fingertips.’
Enamine can quickly and efficiently assemble new compounds through appropriate single step combinations of the 150,000 building blocks available in its stock. By selecting the most characterised of these and proving their utility in parallel synthesis using 106 reaction protocols developed at Enamine, the Company confidently ensures a minimum synthesis rate of 80 per cent and delivery time of 3-4 weeks. BioSolveIT’s unique software capabilities have allowed for the searchability of a huge virtual chemical space that would be a challenge to navigate using traditional search technologies. REAL Space Navigator can be easily deployed on a standard computer, allowing for convenient, ultra-fast similarity searches and scaffold hopping without the need to connect to the internet and potentially disclose confidential queries.
Dr Christian Lemmen, CEO of BioSolveIT, explained: ‘Our technology is based on extremely fast tree-based algorithms that avoid visiting every virtual molecule while traversing vast chemistry spaces for interesting hits. With Enamine's outstanding experience in chemical syntheses and quality-driven selection of building blocks, that space is not only impressively large but also packed with unique chemical matter. We are proud to be Enamine's partner in this exciting endeavour and thus offer users of the REAL Space Navigator a considerable competitive advantage.’
Both Companies continue to collaborate with plans to grow the database to more than 1 billion compounds by Q2 2018.