⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19012791 | 0.82 | CYP1A2 (0.30) | — | |
| SCHEMBL13539868 | 0.79 | — | — | |
| SCHEMBL14555815 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28570575 | 0.77 | CYP1A2 (0.30) | — | |
| SCHEMBL24861541 | 0.76 | — | — | |
| SCHEMBL25400671 | 0.74 | — | — | |
| SCHEMBL25403140 | 0.74 | — | — | |
| SCHEMBL25402297 | 0.74 | — | — | |
| SCHEMBL20613110 | 0.74 | — | — | |
| SCHEMBL25402970 | 0.71 | CYP1A2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024071216-A1 | PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学クロップ＆ライフソリューション株式会社 | 2024-04-04 | — | — | WO | disclosed |
| WO-2023171783-A1 | PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2023-09-14 | — | — | WO | disclosed |