⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27298768 | 0.95 | — | — | |
| SCHEMBL30696109 | 0.95 | — | — | |
| SCHEMBL27937271 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL2592585 | 0.64 | — | — | |
| SCHEMBL2387226 | 0.64 | — | — | |
| SCHEMBL28829629 | 0.64 | — | — | |
| SCHEMBL27628162 | 0.62 | — | — | |
| SCHEMBL19163803 | 0.60 | — | — | |
| SCHEMBL3313260 | 0.59 | — | — | |
| Water SCHEMBL30136134 | 0.58 | — | — |
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-117882732-A | Smearing agent and application thereof | 湘丰茶业集团有限公司 | 2024-04-16 | — | — | CN | disclosed |