⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17480197 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL28613244 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL4433113 | 0.78 | — | — | |
| SCHEMBL6018675 | 0.76 | FDPS (0.33) | — | |
| SCHEMBL358388 | 0.76 | — | — | |
| SCHEMBL11453365 | 0.74 | — | — | |
| SCHEMBL162507 | 0.74 | BLM (0.38) | — | |
| SCHEMBL28177323 | 0.73 | — | — | |
| SCHEMBL6629821 | 0.72 | — | — | |
| SCHEMBL14093062 | 0.72 | FDPS (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107108486-A | The method for producing specific acetal and ketal | 帝斯曼知识产权资产管理有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | disclosed |