⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL623051 | 0.81 | MAPK1 (0.35) | — | |
| SCHEMBL4063910 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL238978 | 0.67 | — | — | |
| SCHEMBL1358657 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL5877692 | 0.65 | ALOX5 (0.30) | — | |
| SCHEMBL7834163 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL10414450 | 0.64 | — | — | |
| SCHEMBL9596829 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL5694447 | 0.64 | — | — | |
| SCHEMBL520941 | 0.63 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114933624-B | Artificial synthesis method of natural product (+) -digitonin | 大连理工大学 | 2024-02-20 | — | — | CN | claimed |
| CN-114933624-A | Method for artificially synthesizing natural product (+) -digitoxin aglycone | 大连理工大学 | 2022-08-23 | — | — | CN | claimed |
| CN-114933624-B | Artificial synthesis method of natural product (+) -digitonin | 大连理工大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-114933624-A | Method for artificially synthesizing natural product (+) -digitoxin aglycone | 大连理工大学 | 2022-08-23 | — | — | CN | disclosed |
| 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 |