⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3877062 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL3884274 | 0.76 | HRH3 (0.36) | — | |
| SCHEMBL566653 | 0.75 | PNMT (0.43) | — | |
| SCHEMBL4939233 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL4782634 | 0.73 | PNMT (0.38) | — | |
| SCHEMBL3883076 | 0.73 | HSD17B1 (0.31) | — | |
| SCHEMBL3883765 | 0.73 | KDM4C (0.40) | — | |
| SCHEMBL4237737 | 0.72 | PNMT (0.46) | — | |
| SCHEMBL3875585 | 0.72 | CHRNB2 (0.40) | — | |
| SCHEMBL384592 | 0.71 | PNMT (0.49) | — |
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 9 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 |
| CN-101119968-B | Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | disclosed |
| EP-1848694-B1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | HOFFMANN LA ROCHE (CH) | 2009-11-25 | — | — | EP | disclosed |
| US-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | JOLIDON SYNESE | 2009-08-13 | — | — | US | disclosed |
| US-7557114-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2009-07-07 | — | — | US | disclosed |
| CN-101119968-A | Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-02-06 | — | — | CN | disclosed |
| EP-1848694-A1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | F. Hoffmann-Roche AG (CH) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006082001-A1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | disclosed |
| US-20060178381-A1 | Heterocyclic-substituted phenyl methanones | HOFFMANN-LA ROCHE INC. | 2006-08-10 | — | — | US | disclosed |