Software Navigates Chemical Space on Hunt for Novel Compounds

Chemical research organisation Enamine, the producer of perhaps the largest collections of novel building blocks (150,000) and screening compound libraries (2,400,000), along with BioSolveIT GmbH, a premium provider of medicinal chemistry software, have jointly announced the ‘REAL Space Navigator’, that 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.

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.

Michael Bossert, Head of Strategic Alliances at Enamine, said: “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.”

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 endeavor and thus offer users of the REAL Space Navigator a considerable competitive advantage.”

Both Companies continue to collaborate with plans to grow the database beyond 1 billion compounds by Q2 2018.