⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1688394 | 0.78 | TYRO3 (0.34) | — | |
| SCHEMBL12476433 | 0.75 | MAPT (0.41) | — | |
| SCHEMBL12828802 | 0.75 | — | — | |
| SCHEMBL14205411 | 0.71 | PIN1 (0.51) | — | |
| SCHEMBL10292981 | 0.71 | P2RY1 (0.30) | — | |
| SCHEMBL13670912 | 0.70 | — | — | |
| SCHEMBL7948803 | 0.69 | PDE10A (0.41) | — | |
| SCHEMBL13805714 | 0.67 | — | — | |
| SCHEMBL13261894 | 0.67 | — | — | |
| SCHEMBL10034998 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101588-B2 | Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2012-01-24 | — | — | US | disclosed |
| US-7759342-B2 | Methods of treatment and prevention using haloaryl substituted aminopurines | SIGNAL PHARMACEUTICALS, LLC (US) | 2010-07-20 | — | — | US | disclosed |
| US-20090275564-A1 | HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | ALBERS RONALD J | 2009-11-05 | — | — | US | disclosed |
| US-20080021048-A1 | Methods of treatment and prevention using haloaryl substituted aminopurines | SIGNAL PHARMACEUTICALS, LLC | 2008-01-24 | — | — | US | disclosed |