⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30130668 | 0.83 | — | — | |
| SCHEMBL30130692 | 0.83 | HTR6 (0.34) | — | |
| SCHEMBL20386959 | 0.80 | MCHR1 (0.33) | — | |
| SCHEMBL21376155 | 0.79 | — | — | |
| SCHEMBL17949566 | 0.79 | CYP11B1 (0.32) | — | |
| SCHEMBL23018091 | 0.78 | CYP11B1 (0.33) | — | |
| SCHEMBL23018095 | 0.77 | MCHR1 (0.31) | — | |
| SCHEMBL30130708 | 0.77 | CRACR2A (0.32) | — | |
| SCHEMBL23018086 | 0.77 | GNRHR (0.31) | — | |
| SCHEMBL23018084 | 0.77 | PDE1A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022250069-A1 | SULFUR-CONTAINING PYRAZOLE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT INCLUDING SULFUR-CONTAINING PYRAZOLE COMPOUND AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2022-12-01 | — | — | WO | disclosed |