⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29953055 | 0.80 | — | — | |
| SCHEMBL23723679 | 0.72 | — | — | |
| SCHEMBL1934277 | 0.68 | — | — | |
| SCHEMBL21737801 | 0.65 | PTGS2 (0.32) | — | |
| SCHEMBL28451882 | 0.64 | — | — | |
| SCHEMBL29955357 | 0.63 | L3MBTL1 (0.38) | — | |
| SCHEMBL24758270 | 0.63 | PROKR1 (0.33) | — | |
| SCHEMBL871624 | 0.62 | — | — | |
| SCHEMBL29957086 | 0.62 | — | — | |
| SCHEMBL14471201 | 0.61 | SMN1; SMN2 (0.49) | — |
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-2024162284-A1 | PYRAZOLE-4-CARBOXAMIDE COMPOUND AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT USING SAME | クミアイ化学工業株式会社 | 2024-08-08 | — | — | WO | disclosed |