⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28146070 | 0.87 | — | — | |
| SCHEMBL27956413 | 0.83 | — | — | |
| SCHEMBL28161702 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL28137479 | 0.76 | — | — | |
| SCHEMBL27501736 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL27777509 | 0.74 | ESR1 (0.34) | — | |
| Ethane SCHEMBL27995166 | 0.74 | MEN1 (0.34) | — | |
| SCHEMBL29086398 | 0.73 | CYP2C19 (0.30) | — | |
| SCHEMBL28463701 | 0.72 | SLC6A4 (0.35) | — | |
| SCHEMBL29173302 | 0.72 | CYP19A1 (0.36) | — |
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-109562033-A | Cosmetic preparation for hair | 花王株式会社 | 2019-04-02 | — | — | CN | disclosed |
| CN-109562034-A | Hair cosmetic composition | 花王株式会社 | 2019-04-02 | — | — | CN | disclosed |