⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7687809 | 0.82 | AR (0.33) | — | |
| SCHEMBL7690463 | 0.77 | TGFBR1 (0.34) | — | |
| SCHEMBL7688339 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL7686737 | 0.76 | PDE10A (0.30) | — | |
| SCHEMBL7685178 | 0.75 | NR3C1 (0.30) | — | |
| SCHEMBL7691483 | 0.75 | KDM1A (0.32) | — | |
| SCHEMBL7694533 | 0.75 | NTRK1 (0.35) | — | |
| SCHEMBL7690601 | 0.74 | HSP90AB1 (0.39) | — | |
| SCHEMBL7693284 | 0.74 | AR (0.33) | — | |
| SCHEMBL7690605 | 0.73 | HSD11B1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6274536-B1 | CROPS, AGRICULTURE; PRE- AND POSTEMERGENCE | SYNGENTA CROP PROTECTION, INC. | 2001-08-14 | — | — | US | disclosed |
| EP-0966461-A1 | PYRAZOLE DERIVATIVES AS HERBICIDES | Novartis AG (CH) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998042698-A1 | PYRAZOLE DERIVATIVES AS HERBICIDES | NOVARTIS AG (CH) | 1998-10-01 | — | — | WO | disclosed |