⚠ 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 | |
|---|---|---|---|---|
| Pyridate SCHEMBL7579931 | 0.94 | — | — | |
| Pyridate SCHEMBL7580959 | 0.92 | MEN1 (0.31) | — | |
| Pyridate SCHEMBL7584134 | 0.86 | — | — | |
| Glyphosate SCHEMBL7587193 | 0.82 | CASP3 (0.31) | — | |
| Pyridate SCHEMBL18115236 | 0.81 | ADORA3 (0.33) | — | |
| Flumiciorac-Pentyl SCHEMBL7586103 | 0.79 | PPOX (0.35) | — | |
| Pyridate SCHEMBL7576263 | 0.78 | PPOX (0.30) | — | |
| Simazine SCHEMBL7585122 | 0.77 | — | — | |
| 3,6 Dichloromethoxybenzoic Acid SCHEMBL7582963 | 0.76 | ALDH1A1 (0.33) | — | |
| Glyphosate SCHEMBL7579854 | 0.76 | GRM7 (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 |
|---|---|---|---|---|---|---|---|
| US-20020004457-A1 | Herbicidal composition | SYNGENTA PARTICIPATIONS AG (CH) | 2002-01-10 | — | — | US | disclosed |