⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23370314 | 0.91 | PDE4B (0.30) | — | |
| SCHEMBL23370312 | 0.82 | — | — | |
| SCHEMBL29814638 | 0.82 | — | — | |
| SCHEMBL24854556 | 0.81 | — | — | |
| SCHEMBL24853748 | 0.76 | RXRA (0.31) | — | |
| SCHEMBL24854236 | 0.76 | L3MBTL1 (0.32) | — | |
| SCHEMBL24854503 | 0.76 | — | — | |
| SCHEMBL24854071 | 0.76 | — | — | |
| SCHEMBL23370325 | 0.74 | — | — | |
| SCHEMBL23370331 | 0.73 | CYP1A2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230002357-A1 | 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA CROP PROTECTION AG (CH) | 2023-01-05 | — | — | US | disclosed |