⚠ 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL5290689 | 0.85 | ALDH1A1 (0.36) | — | |
| Benzene SCHEMBL27554911 | 0.84 | — | — | |
| Toluene SCHEMBL27717100 | 0.83 | TSHR (0.42) | — | |
| Benzene SCHEMBL27464996 | 0.82 | — | — | |
| Phenol SCHEMBL28469352 | 0.81 | CA12 (0.41) | — | |
| Benzyl Alcohol SCHEMBL28818098 | 0.77 | TSHR (0.47) | — | |
| Styrene SCHEMBL27438224 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL10802496 | 0.77 | — | — | |
| SCHEMBL20166 | 0.77 | — | — | |
| SCHEMBL27546748 | 0.77 | — | — |
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-103391765-B | Comprise all to carry and produce the oil of bonding groups of hydrogen bond and the cosmetic composition of polymer and cosmetic treatment method | 莱雅公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-103491941-B | Comprise all to carry and produce the polysiloxanes of bonding groups of hydrogen bond and the cosmetic composition of polymer and cosmetic treatment method | 莱雅公司 | 2016-08-24 | — | — | CN | disclosed |