⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18197738 | 0.56 | — | — | |
| SCHEMBL5052796 | 0.50 | — | — | |
| SCHEMBL19561629 | 0.48 | — | — | |
| SCHEMBL10044093 | 0.46 | — | — | |
| SCHEMBL9406865 | 0.42 | — | — | |
| SCHEMBL2053378 | 0.40 | — | — | |
| SCHEMBL2136863 | 0.38 | — | — | |
| SCHEMBL321045 | 0.37 | — | — | |
| SCHEMBL148004 | 0.34 | — | — | |
| SCHEMBL1482242 | 0.34 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1956020-A2 | 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity | SMITHKLINE BEECHAM PLC (GB) | 2008-08-13 | — | — | EP | disclosed |
| EP-1385845-B1 | N-AROYL CYCLIC AMINES | SMITHKLINE BEECHAM PLC (GB) | 2008-01-09 | — | — | EP | disclosed |