⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4503903 | 0.85 | HTT (0.33) | — | |
| SCHEMBL4501688 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL4499948 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL4500106 | 0.74 | HTT (0.34) | — | |
| SCHEMBL5929360 | 0.71 | SIRT2 (0.31) | — | |
| SCHEMBL6839514 | 0.68 | FPR2 (0.32) | — | |
| SCHEMBL5116268 | 0.67 | GAA (0.33) | — | |
| SCHEMBL4512633 | 0.67 | GAA (0.46) | — | |
| SCHEMBL13817808 | 0.67 | BUB1 (0.32) | — | |
| SCHEMBL5929376 | 0.65 | L3MBTL1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7547660-B2 | Phenyl-substituted 4-hydroxy-tetrahydropyridones | BAYER AKTIENGESELLSCHAFT (DE) | 2009-06-16 | — | — | US | disclosed |
| EP-1276741-B1 | PHENYL SUBSTITUTED 4-HYDROXY TETRAHYDROPYRIDONE AND ITS USE AS PESTICIDE AND HERBICIDE | BAYER CROPSCIENCE AG (DE) | 2008-12-31 | — | — | EP | disclosed |
| US-6974827-B2 | Phenyl substituted 4-hydroxy tetrahydroxypyridone | BAYER AKTIENGESELLSCHAFT (DE) | 2005-12-13 | — | — | US | disclosed |
| US-20050256089-A1 | Phenyl-substituted 4-hydroxy-tetrahydropyridones | FISCHER REINER | 2005-11-17 | — | — | US | disclosed |
| US-20030176464-A1 | Phenyl substituted 4-hydroxy tetrahydroxypyridone | BAYER AKTIENGESELLSCHAFT (DE) | 2003-09-18 | — | — | US | disclosed |
| EP-1276741-A1 | PHENYL SUBSTITUTED 4-HYDROXY TETRAHYDROPYRIDONE | Bayer CropScience AG (DE) | 2003-01-22 | — | — | EP | disclosed |
| WO-2001079204-A1 | PHENYL SUBSTITUTED 4-HYDROXY TETRAHYDROPYRIDONE | BAYER CROPSCIENCE AG (DE) | 2001-10-25 | — | — | WO | disclosed |