⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4539773 | 0.77 | — | — | |
| SCHEMBL5843086 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL7606615 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL1486780 | 0.70 | — | — | |
| SCHEMBL16235535 | 0.63 | CA2 (0.33) | — | |
| SCHEMBL28016 | 0.60 | — | — | |
| SCHEMBL54558 | 0.60 | — | — | |
| SCHEMBL3441994 | 0.60 | — | — | |
| SCHEMBL2865618 | 0.58 | — | — | |
| SCHEMBL12922604 | 0.58 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1058262-C | Novel 1-phenylalkanone 5-HT4Receptor ligands | SYNTEX INC (US) | 2000-11-08 | — | — | CN | disclosed |
| EP-0700383-B1 | NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS | SYNTEX INC (US) | 1998-09-23 | — | — | EP | disclosed |
| CN-1124485-A | Novel 1-phenylalkanone 5-HT4Receptor ligands | SYNTEX A INC (US) | 1996-06-12 | — | — | CN | disclosed |
| WO-1994027965-A1 | NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS | SYNTEX (U.S.A.) INC. (US) | 1994-12-08 | — | — | WO | disclosed |