⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23259359 | 0.81 | APLNR (0.59) | — | |
| Hydrochloric Acid SCHEMBL28549560 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL3585742 | 0.75 | — | — | |
| SCHEMBL1483826 | 0.75 | — | — | |
| SCHEMBL111337 | 0.74 | — | — | |
| SCHEMBL29367162 | 0.74 | — | — | |
| SCHEMBL16836530 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL25301697 | 0.71 | — | — | |
| SCHEMBL25398699 | 0.70 | — | — | |
| SCHEMBL25401934 | 0.70 | — | — |
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 3 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 |
| CN-102124005-A | Cmet inhibitors | TAKEDA PHARMACEUTICAL | 2011-07-13 | — | — | CN | disclosed |