⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21799386 | 0.84 | — | — | |
| SCHEMBL21799370 | 0.67 | — | — | |
| SCHEMBL4132422 | 0.60 | — | — | |
| SCHEMBL7055097 | 0.60 | — | — | |
| SCHEMBL42248 | 0.58 | — | — | |
| SCHEMBL1278165 | 0.58 | — | — | |
| SCHEMBL4301372 | 0.58 | — | — | |
| SCHEMBL29050900 | 0.58 | — | — | |
| Butadiene SCHEMBL2466305 | 0.57 | — | — | |
| Butadiene SCHEMBL10662105 | 0.57 | TSHR (0.47) | — |
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-110612295-B | Pyrazole-3-carboxylic acid amide derivative and pest control agent | 组合化学工业株式会社 | 2023-07-14 | — | — | CN | disclosed |