⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8734855 | 0.95 | STK10 (0.31) | — | |
| SCHEMBL8732888 | 0.90 | AR (0.32) | — | |
| SCHEMBL8734729 | 0.90 | — | — | |
| SCHEMBL8732684 | 0.87 | STK10 (0.30) | — | |
| SCHEMBL8735030 | 0.86 | CTSS (0.31) | — | |
| SCHEMBL8735727 | 0.86 | — | — | |
| SCHEMBL8735711 | 0.86 | TRPM8 (0.31) | — | |
| SCHEMBL8411217 | 0.86 | MEN1 (0.30) | — | |
| SCHEMBL8729865 | 0.85 | NFE2L2 (0.34) | — | |
| SCHEMBL8732139 | 0.85 | SLC6A2 (0.30) | — |
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-0699390-B1 | Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use | ROHM & HAAS (US) | 1998-10-07 | — | — | EP | claimed |