⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9388795 | 1.00 | — | — | |
| Benzene SCHEMBL28149441 | 0.71 | KDM4E (0.41) | — | |
| SCHEMBL10715115 | 0.70 | CHRNA4 (0.36) | — | |
| SCHEMBL1058397 | 0.67 | — | — | |
| SCHEMBL1058399 | 0.67 | — | — | |
| SCHEMBL27313644 | 0.67 | KDM4E (0.57) | — | |
| SCHEMBL19614365 | 0.66 | GRM5 (0.41) | — | |
| SCHEMBL27330261 | 0.63 | LMNA (0.57) | — | |
| SCHEMBL11538095 | 0.63 | LMNA (0.57) | — | |
| SCHEMBL28292187 | 0.60 | MAPT (0.61) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117378604-A | Pesticide composition for stem and leaf treatment | 组合化学工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| CN-110612295-A | Pyrazole-3-carboxylic acid amide derivative and pest control agent | 组合化学工业株式会社 | 2019-12-24 | — | — | CN | disclosed |