⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18010942 | 1.00 | — | — | |
| SCHEMBL28868554 | 0.74 | CA2 (0.32) | — | |
| SCHEMBL1980377 | 0.72 | — | — | |
| SCHEMBL12060575 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL6304664 | 0.69 | — | — | |
| SCHEMBL2540229 | 0.69 | — | — | |
| SCHEMBL243965 | 0.69 | — | — | |
| SCHEMBL2480054 | 0.69 | — | — | |
| SCHEMBL1204186 | 0.67 | — | — | |
| SCHEMBL1077396 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3061747-B1 | PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF | Shanghai hengrui pharmaceutical co ltd (CN) | 2021-04-07 | — | — | EP | disclosed |
| US-10064848-B2 | Pyridic ketone derivatives, method of preparing same, and pharmaceutical application thereof | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2018-09-04 | — | — | US | disclosed |
| US-9914703-B2 | Pyridic ketone derivatives, method of preparing same, and pharmaceutical application thereof | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2018-03-13 | — | — | US | disclosed |
| US-20180016236-A1 | PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2018-01-18 | — | — | US | disclosed |
| EP-3061747-A1 | PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF | Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) | 2016-08-31 | — | — | EP | disclosed |
| US-20160244410-A1 | PYRIDIC KETONE DERIVATIVES, METHOD OF PREPARING SAME, AND PHARMACEUTICAL APPLICATION THEREOF | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2016-08-25 | — | — | US | disclosed |