⚠ 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 | |
|---|---|---|---|---|
| Butafenacil SCHEMBL29482232 | 0.90 | XPA (0.34) | — | |
| Butafenacil SCHEMBL39148 | 0.90 | XPA (0.34) | — | |
| Butafenacil SCHEMBL20521380 | 0.88 | XPA (0.34) | — | |
| Butafenacil SCHEMBL19463100 | 0.86 | XPA (0.33) | — | |
| SCHEMBL14036918 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL6553785 | 0.80 | CYP4F2 (0.34) | — | |
| Butafenacil SCHEMBL19463929 | 0.80 | XPA (0.30) | — | |
| SCHEMBL17589370 | 0.79 | XPA (0.34) | — | |
| SCHEMBL29971382 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL9350533 | 0.78 | CTSB (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3442962-A1 | HERBICIDAL PYRIDAZINONE COMPOUNDS | Syngenta Participations AG (CH) | 2019-02-20 | — | — | EP | disclosed |
| WO-2017178582-A1 | HERBICIDAL PYRIDAZINONE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2017-10-19 | — | — | WO | disclosed |