⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3929989 | 0.70 | L3MBTL3 (0.33) | — | |
| SCHEMBL9089960 | 0.69 | — | — | |
| SCHEMBL3930713 | 0.69 | L3MBTL3 (0.33) | — | |
| SCHEMBL2689541 | 0.65 | — | — | |
| SCHEMBL31054194 | 0.65 | — | — | |
| SCHEMBL4118534 | 0.61 | — | — | |
| SCHEMBL4119182 | 0.58 | — | — | |
| SCHEMBL16814132 | 0.57 | ACHE (0.40) | — | |
| SCHEMBL4130201 | 0.57 | — | — | |
| SCHEMBL17541510 | 0.57 | OGA (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 |