⚠ 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 | |
|---|---|---|---|---|
| Fluquinconazole SCHEMBL23174822 | 0.80 | IDO1 (0.37) | — | |
| Fludioxonil SCHEMBL8819201 | 0.78 | USP1 (0.33) | — | |
| Fludioxonil SCHEMBL4164443 | 0.75 | USP1 (0.31) | — | |
| Fluquinconazole SCHEMBL3685935 | 0.73 | TDO2 (0.43) | — | |
| Fluquinconazole SCHEMBL21234 | 0.73 | TDO2 (0.43) | — | |
| Fluquinconazole SCHEMBL29422244 | 0.73 | TDO2 (0.43) | — | |
| Fluquinconazole SCHEMBL29488449 | 0.73 | TDO2 (0.43) | — | |
| Fludioxonil SCHEMBL4336257 | 0.72 | USP1 (0.32) | — | |
| SCHEMBL10518452 | 0.68 | KDM4E (0.39) | — | |
| Fluquinconazole SCHEMBL28267771 | 0.66 | CYP1A2 (0.34) | — |
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-0912547-A2 | NEW SUBSTITUTED PYRIDYL KETO ENOLS | BAYER AG (DE) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997043275-A2 | NEW SUBSTITUTED PYRIDYL KETO ENOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-11-20 | — | — | WO | disclosed |