⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16209825 | 0.71 | — | — | |
| SCHEMBL22272824 | 0.69 | BRD4 (0.36) | — | |
| SCHEMBL29946644 | 0.69 | BRD4 (0.30) | — | |
| SCHEMBL18347914 | 0.69 | BRD4 (0.30) | — | |
| SCHEMBL14177867 | 0.69 | — | — | |
| SCHEMBL20215891 | 0.67 | ATM (0.34) | — | |
| SCHEMBL14943617 | 0.67 | — | — | |
| SCHEMBL20215806 | 0.67 | ATM (0.34) | — | |
| SCHEMBL16790657 | 0.67 | ATM (0.34) | — | |
| SCHEMBL25510098 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022135555-A1 | PURINONE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2022-06-30 | — | — | WO | disclosed |
| EP-3974423-A1 | INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2022-03-30 | — | — | EP | disclosed |
| US-9585884-B2 | Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 | AUSPEX PHARMACEUTICALS, INC. (US) | 2017-03-07 | — | — | US | disclosed |