⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL9342567 | 0.70 | — | — | |
| Water SCHEMBL9342594 | 0.70 | LOXL2 (0.33) | — | |
| SCHEMBL28637929 | 0.69 | IMPDH2 (0.30) | — | |
| SCHEMBL19291931 | 0.69 | — | — | |
| SCHEMBL28021893 | 0.69 | — | — | |
| SCHEMBL19582176 | 0.69 | MALT1 (0.50) | — | |
| SCHEMBL10168887 | 0.69 | — | — | |
| SCHEMBL23021782 | 0.69 | — | — | |
| SCHEMBL30899318 | 0.68 | — | — | |
| SCHEMBL25401919 | 0.68 | — | — |
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 |