⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10855308 | 1.00 | — | — | |
| SCHEMBL4451275 | 0.84 | — | — | |
| SCHEMBL16182389 | 0.83 | — | — | |
| SCHEMBL13942794 | 0.75 | — | — | |
| SCHEMBL1276819 | 0.73 | — | — | |
| SCHEMBL1276477 | 0.73 | CA1 (0.32) | — | |
| SCHEMBL1725698 | 0.71 | — | — | |
| SCHEMBL13772993 | 0.70 | — | — | |
| SCHEMBL26084987 | 0.70 | CHRM5 (0.34) | — | |
| SCHEMBL12144794 | 0.69 | ALDH1A1 (0.35) | — |
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 |