⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL903289 | 0.82 | — | — | |
| SCHEMBL903292 | 0.82 | — | — | |
| SCHEMBL5378124 | 0.79 | GAA (0.30) | — | |
| SCHEMBL9971069 | 0.78 | — | — | |
| SCHEMBL5421362 | 0.78 | — | — | |
| Pyroxasulfone SCHEMBL117036 | 0.78 | GAA (0.31) | — | |
| SCHEMBL5370112 | 0.78 | — | — | |
| Pyroxasulfone SCHEMBL3227744 | 0.78 | GAA (0.31) | — | |
| Pyroxasulfone SCHEMBL20723470 | 0.77 | GAA (0.31) | — | |
| Pyroxasulfone SCHEMBL20723430 | 0.77 | GAA (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-1858328-B1 | HERBICIDAL COMPOSITION | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-02 | — | — | EP | disclosed |