⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL568783 | 0.80 | — | — | |
| SCHEMBL28655162 | 0.76 | — | — | |
| SCHEMBL15667964 | 0.74 | — | — | |
| SCHEMBL10622080 | 0.73 | — | — | |
| SCHEMBL20442998 | 0.71 | GSK3B (0.30) | — | |
| SCHEMBL14342575 | 0.70 | PTGS2 (0.67) | — | |
| SCHEMBL20073808 | 0.67 | NPC1 (0.31) | — | |
| SCHEMBL1503 | 0.66 | — | — | |
| SCHEMBL15374805 | 0.66 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL14342574 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3237385-B1 | MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER | US HEALTH (US) | 2021-11-24 | — | — | EP | disclosed |
| WO-2016137506-A1 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS | NANTBIOSCIENCE, INC. (US) | 2016-09-01 | — | — | WO | disclosed |
| US-8710038-B2 | Pyrazole kinase modulators and methods of use | EXELIXIS, INC. (US) | 2014-04-29 | — | — | US | disclosed |
| US-20070293507-A1 | Pyrazole Kinase Modulators And Methods Of Use | EXELIXIS, INC. (US) | 2007-12-20 | — | — | US | disclosed |