⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1525606 | 0.76 | — | — | |
| SCHEMBL142963 | 0.74 | — | — | |
| SCHEMBL12720216 | 0.70 | — | — | |
| Acetic Acid SCHEMBL9151775 | 0.70 | FFAR3 (0.58) | — | |
| Hydrochloric Acid SCHEMBL29199515 | 0.68 | — | — | |
| Acetic Acid SCHEMBL1565106 | 0.67 | — | — | |
| Acetic Acid SCHEMBL4292108 | 0.67 | FFAR3 (0.54) | — | |
| SCHEMBL39387 | 0.67 | — | — | |
| SCHEMBL15047 | 0.64 | — | — | |
| SCHEMBL8227653 | 0.64 | — | — |
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-111107830-B | Liquid hair dye composition | 花王株式会社 | 2022-11-29 | — | — | CN | disclosed |