⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23833812 | 0.69 | XDH (0.30) | — | |
| SCHEMBL29144440 | 0.63 | — | — | |
| SCHEMBL28703845 | 0.62 | — | — | |
| SCHEMBL30285980 | 0.59 | — | — | |
| SCHEMBL5053584 | 0.58 | — | — | |
| SCHEMBL975112 | 0.58 | — | — | |
| SCHEMBL28929474 | 0.57 | — | — | |
| SCHEMBL6784417 | 0.56 | — | — | |
| SCHEMBL18528020 | 0.55 | — | — | |
| SCHEMBL18729357 | 0.55 | — | — |
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-114746069-A | Three-step multi-tone hair dyeing method | 汉高股份有限及两合公司 | 2022-07-12 | — | — | CN | claimed |