⚠ 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 SCHEMBL7579953 | 0.94 | — | — | |
| Pyridate SCHEMBL7580959 | 0.90 | MEN1 (0.31) | — | |
| Pyridate SCHEMBL7584134 | 0.84 | — | — | |
| Glyphosate SCHEMBL7579854 | 0.83 | GRM7 (0.30) | — | |
| Pyridate SCHEMBL7586489 | 0.79 | — | — | |
| Simazine SCHEMBL7584339 | 0.78 | — | — | |
| 3,6 Dichloromethoxybenzoic Acid SCHEMBL7578391 | 0.77 | KDM4E (0.31) | — | |
| Flumioxazin SCHEMBL7582915 | 0.77 | — | — | |
| Glyphosate SCHEMBL7587193 | 0.77 | CASP3 (0.31) | — | |
| Bromoxynil SCHEMBL7584533 | 0.76 | PTP4A1 (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 |