⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12197780 | 0.76 | GSK3B (0.46) | — | |
| SCHEMBL11965492 | 0.76 | NISCH (0.40) | — | |
| SCHEMBL890172 | 0.74 | — | — | |
| SCHEMBL9963177 | 0.72 | METAP2 (0.41) | — | |
| SCHEMBL3304072 | 0.70 | ADORA3 (0.38) | — | |
| SCHEMBL19228479 | 0.69 | L3MBTL1 (0.43) | — | |
| SCHEMBL14334119 | 0.67 | — | — | |
| SCHEMBL17830889 | 0.66 | — | — | |
| SCHEMBL14574919 | 0.58 | — | — | |
| SCHEMBL24377342 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220251042-A1 | TOTAL SYNTHESIS OF PIRFENIDONE | Suzhou Fude Zhaofeng Biochemical Technology Co., Ltd (CN) | 2022-08-11 | — | — | US | disclosed |
| WO-2022052391-A1 | METHOD FOR SYNTHESIZING VORTIOXETINE | 苏州富德兆丰生化科技有限公司 | 2022-03-17 | — | — | WO | disclosed |