⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4135727 | 0.72 | L3MBTL1 (0.35) | — | |
| SCHEMBL4135747 | 0.70 | EPHX2 (0.31) | — | |
| SCHEMBL985387 | 0.69 | — | — | |
| SCHEMBL9089956 | 0.67 | — | — | |
| SCHEMBL4125090 | 0.66 | SLC6A9 (0.32) | — | |
| SCHEMBL4124986 | 0.66 | SLC6A9 (0.32) | — | |
| SCHEMBL4118531 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL4124683 | 0.57 | ALKBH1 (0.32) | — | |
| SCHEMBL4597973 | 0.57 | CYP1A2 (0.61) | — | |
| SCHEMBL4827962 | 0.56 | PYGM (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8188139-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | JOLIDON SYNESE | 2009-08-13 | — | — | US | disclosed |