⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11292229 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL11203638 | 0.78 | NPBWR1 (0.31) | — | |
| SCHEMBL11295140 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL10857206 | 0.74 | — | — | |
| SCHEMBL27587032 | 0.73 | TDP1 (0.43) | — | |
| SCHEMBL11407667 | 0.73 | MAPT (0.34) | — | |
| SCHEMBL11219234 | 0.72 | MAPT (0.50) | — | |
| SCHEMBL11291228 | 0.72 | MEN1 (0.38) | — | |
| SCHEMBL10855395 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL11204740 | 0.70 | AR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0065374-A1 | Substituted phosphinates and phosphinothioates and their use for the control of weeds | ZOECON CORPORATION (US) | 1982-11-24 | — | — | EP | disclosed |