⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6682210 | 0.79 | — | — | |
| SCHEMBL2026522 | 0.74 | — | — | |
| SCHEMBL19333906 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL8423005 | 0.70 | — | — | |
| SCHEMBL21162293 | 0.70 | — | — | |
| SCHEMBL17236499 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL10167764 | 0.70 | — | — | |
| SCHEMBL38272 | 0.69 | — | — | |
| SCHEMBL13605232 | 0.69 | — | — | |
| SCHEMBL13963674 | 0.69 | — | — |
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-106474051-B | Reverse temperature-sensitive reversible hydrogel composition | 博任达生化科技（上海）有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-106511259-B | Reverse temperature-sensitive reversible hydrogel composition | 博任达生化科技（上海）有限公司 | 2020-03-20 | — | — | CN | disclosed |