⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19296268 | 0.73 | — | — | |
| SCHEMBL25517506 | 0.69 | — | — | |
| SCHEMBL15723269 | 0.68 | — | — | |
| SCHEMBL13086354 | 0.68 | — | — | |
| SCHEMBL26497829 | 0.68 | — | — | |
| SCHEMBL22941863 | 0.67 | — | — | |
| SCHEMBL24803728 | 0.65 | ADRA2A (0.31) | — | |
| SCHEMBL22725539 | 0.65 | — | — | |
| SCHEMBL22941910 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL4170763 | 0.63 | ADRA2A (0.43) | — |
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-20230295167-A1 | POTENT AND SELECTIVE INHIBITORS OF HER2 | DANA-FARBER CANCER INSTITUTE, INC. | 2023-09-21 | — | — | US | disclosed |
| US-11091462-B2 | (Hetero)arylamide compound for inhibiting protein kinase activity | SHENZHEN TARGETRX, INC. (CN) | 2021-08-17 | — | — | US | disclosed |
| US-20200377473-A9 | (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY | SHENZHEN TARGETRX, INC. (CN) | 2020-12-03 | — | — | US | disclosed |
| US-20150266878-A1 | NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER | HOFFMANN-LA ROCHE INC. (US) | 2015-09-24 | — | — | US | disclosed |