chemistry
Tailored Library
Since inception in 2002, Addex has assembled a unique biased library of molecules with allosteric characteristics. The library has been assembled from commercial and other nonpharmaceutical sources, with some parts of the library acquired under exclusive agreements. At the end of 2009, Addex chemists had assembled over 70,000 compounds. The Addex selection process includes filtering for basic druglike characteristics and development potential. An additional level of filtering involves the application of proprietary algorithms focused on identifying characteristics of allosteric molecules.
A multivariable analysis of the Addex library, depicted here, shows that while its molecules share the physicochemical properties of marketed drugs they are structurally differentiated.
| Each of the axes on this graphical representation comprises multiple physicochemical descriptors. Using this method our library is represented in orange in a 3 dimensional space and compared with marketed drugs in blue. The distance between points represents the difference of physicochemical properties in this multidimensional property space. The data show that the Addex library occupies the same area in the physicochemical property space as 95% of marketed drugs. The Addex library is drug-like. |  | |
| Each of the axes on this graphical representation uses multiple structural descriptors. Using this method our library is represented in a 3 dimensional space and compared with marketed drugs. The distance between points represents differences in structural properties in this multidimensional property space. This structural comparison of the Addex library with marketed drugs shows that despite sharing physicochemical properties with marketed drugs, the Addex library has a considerable degree of structural differentiation. |  |
The implications are:
1) Allosteric modulators are not in the same structural space where pharma chemists are used to working. As a result, Addex has built not only a unique library but also multidisciplinary know-how pertaining to different kinds of chemical structures.
2) Intellectual property within the allosteric structural space is relatively unexploited, making discovery and optimization less encumbered by the need to avoid pre-existing patent families, which can often be a challenge for traditional small molecule chemistry efforts.