⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15427989 | 0.48 | — | — | |
| SCHEMBL21802 | 0.46 | — | — | |
| SCHEMBL18410114 | 0.45 | — | — | |
| SCHEMBL29018853 | 0.43 | — | — | |
| SCHEMBL3324872 | 0.41 | — | — | |
| SCHEMBL15841005 | 0.41 | — | — | |
| SCHEMBL478015 | 0.41 | — | — | |
| SCHEMBL332518 | 0.41 | — | — | |
| SCHEMBL9582480 | 0.41 | — | — | |
| SCHEMBL1220530 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116462662-A | Aromatic ring Nav1.8 inhibitor and application thereof | 成都康弘药业集团股份有限公司 | 2023-07-21 | — | — | CN | disclosed |