⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11289959 | 0.88 | — | — | |
| SCHEMBL11219122 | 0.85 | — | — | |
| SCHEMBL11288107 | 0.78 | EPHX2 (0.31) | — | |
| SCHEMBL10814464 | 0.77 | — | — | |
| SCHEMBL11290146 | 0.75 | MVD (0.33) | — | |
| SCHEMBL11296378 | 0.75 | MVD (0.30) | — | |
| SCHEMBL11220113 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL11205648 | 0.72 | — | — | |
| SCHEMBL10810925 | 0.72 | — | — | |
| SCHEMBL11150801 | 0.72 | CHRM2 (0.31) | — |
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-0008852-B1 | AMIDE AND HYDRAZIDE DERIVATIVES OF N-TRIFLUORACETYL-N-PHOSPHONOMETHYLGLYCINE, HERBICIDAL COMPOSITIONS AND THEIR USE | MONSANTO COMPANY (US) | 1982-01-13 | — | — | EP | claimed |