⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32014 | 0.97 | — | — | |
| SCHEMBL4305866 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL28088753 | 0.75 | — | — | |
| SCHEMBL28243586 | 0.75 | — | — | |
| SCHEMBL26557025 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL30422627 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL27507198 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL647211 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL15789289 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL5830076 | 0.71 | ALDH1A1 (0.65) | — |
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-111194219-B | Use of polyphenols comprising sugarcane extract for preventing, ameliorating or treating skin problems | 保利益私人有限公司 | 2023-09-15 | — | — | CN | disclosed |
| CN-111194219-A | Use of polyphenols comprising sugar cane extract for preventing, ameliorating or treating skin problems | 产品制造商（澳大利亚）有限公司 | 2020-05-22 | — | — | CN | disclosed |