⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21299971 | 0.75 | — | — | |
| SCHEMBL13089719 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL13953074 | 0.74 | — | — | |
| SCHEMBL23027353 | 0.74 | — | — | |
| SCHEMBL22349843 | 0.72 | — | — | |
| SCHEMBL24337764 | 0.72 | — | — | |
| SCHEMBL12326766 | 0.70 | — | — | |
| SCHEMBL24135688 | 0.70 | — | — | |
| SCHEMBL9941963 | 0.70 | — | — | |
| SCHEMBL13088873 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023205778-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| US-8680099-B2 | 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders | AFRAXIS HOLDINGS, INC. (US) | 2014-03-25 | — | — | US | disclosed |
| US-20130245012-A1 | 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS | AFRAXIS, INC. (US) | 2013-09-19 | — | — | US | disclosed |
| US-20130158043-A1 | PAK INHIBITORS FOR THE TREATMENT OF CANCER | AFRAXIS, INC. (US) | 2013-06-20 | — | — | US | disclosed |
| WO-2011042797-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL | ICOZEN THERAPEUTICS PVT. LTD. (IN) | 2011-04-14 | — | — | WO | disclosed |
| WO-2010115264-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010040917-A1 | METHOD FOR CLEANING SURFACES USING A PROTIC IONIC LIQUID | IFP (FR) | 2010-04-15 | — | — | WO | disclosed |