⚠ 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 SCHEMBL7580958 | 0.92 | PPOX (0.33) | — | |
| Pyridate SCHEMBL7577553 | 0.88 | — | — | |
| Pyridate SCHEMBL7580998 | 0.85 | — | — | |
| Pentoxazone SCHEMBL7589300 | 0.82 | PPOX (0.39) | — | |
| Flumiciorac-Pentyl SCHEMBL7579990 | 0.81 | PPOX (0.34) | — | |
| Pyridate SCHEMBL7585072 | 0.80 | — | — | |
| Pentoxazone SCHEMBL7580841 | 0.77 | PPOX (0.33) | — | |
| Flumioxazin SCHEMBL7577424 | 0.76 | — | — | |
| Pentoxazone SCHEMBL7583100 | 0.76 | PPOX (0.33) | — | |
| Carfentrazone-Ethyl SCHEMBL7578323 | 0.76 | DHODH (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 |
|---|---|---|---|---|---|---|---|
| US-20020004457-A1 | Herbicidal composition | SYNGENTA PARTICIPATIONS AG (CH) | 2002-01-10 | — | — | US | disclosed |