⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13817808 | 0.82 | BUB1 (0.32) | — | |
| SCHEMBL14066573 | 0.81 | MAPT (0.31) | — | |
| SCHEMBL13698883 | 0.70 | L3MBTL1 (0.31) | — | |
| SCHEMBL15489240 | 0.69 | PDE7B (0.30) | — | |
| SCHEMBL13817821 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL13817838 | 0.68 | NCEH1 (0.38) | — | |
| SCHEMBL13817791 | 0.68 | HTT (0.38) | — | |
| SCHEMBL14066571 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL15489241 | 0.65 | PDE7A (0.31) | — | |
| SCHEMBL22911835 | 0.64 | GAA (0.32) | — |
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 3 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 |
| 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 |