⚠ 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 | |
|---|---|---|---|---|
| Pentoxazone SCHEMBL7585713 | 0.92 | PDE4D (0.32) | — | |
| Pentoxazone SCHEMBL7577710 | 0.90 | SCN9A (0.33) | — | |
| Pentoxazone SCHEMBL7583635 | 0.87 | PTGER4 (0.33) | — | |
| Iodosulfuron SCHEMBL7584924 | 0.86 | PDE4D (0.32) | — | |
| Logran SCHEMBL7578300 | 0.85 | PDE4D (0.31) | — | |
| Pentoxazone SCHEMBL7578909 | 0.85 | SCN8A (0.32) | — | |
| Pentoxazone SCHEMBL7587305 | 0.84 | MAPT (0.34) | — | |
| Prosulfuron SCHEMBL7589013 | 0.83 | PTGER4 (0.31) | — | |
| Pentoxazone SCHEMBL7934081 | 0.82 | PKM (0.39) | — | |
| Flumipropyn SCHEMBL7578869 | 0.81 | PTGER4 (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 |