⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28212847 | 0.87 | — | — | |
| SCHEMBL27860303 | 0.87 | — | — | |
| SCHEMBL28002305 | 0.87 | — | — | |
| Alcohol SCHEMBL28371128 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL22164168 | 0.77 | — | — | |
| SCHEMBL3989972 | 0.75 | — | — | |
| SCHEMBL191208 | 0.71 | — | — | |
| SCHEMBL21723092 | 0.69 | — | — | |
| SCHEMBL28161061 | 0.69 | — | — | |
| SCHEMBL28268028 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102905684-B | Cosmetic composition, compound and cosmetic treatment method | 莱雅公司 | 2016-10-05 | — | — | CN | disclosed |