⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7689189 | 0.86 | — | — | |
| SCHEMBL7690607 | 0.79 | PGR (0.43) | — | |
| SCHEMBL7688339 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL7687809 | 0.76 | AR (0.33) | — | |
| SCHEMBL7686737 | 0.76 | PDE10A (0.30) | — | |
| SCHEMBL7694533 | 0.75 | NTRK1 (0.35) | — | |
| SCHEMBL7690601 | 0.74 | HSP90AB1 (0.39) | — | |
| SCHEMBL7692799 | 0.72 | PGK1 (0.38) | — | |
| SCHEMBL7690605 | 0.71 | HSD11B1 (0.39) | — | |
| SCHEMBL7693953 | 0.70 | SLC34A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6339046-B1 | FOR CONTROLLING WEEDS | SYNGENTA INVESTMENT CORPORATION | 2002-01-15 | — | — | US | disclosed |
| EP-0839808-A1 | Pyrazole derivatives, processes for their preparation, and their use as herbicides | Novartis AG (CH) | 1998-05-06 | — | — | EP | disclosed |