⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5593619 | 0.79 | — | — | |
| SCHEMBL7352093 | 0.70 | — | — | |
| SCHEMBL966915 | 0.67 | — | — | |
| SCHEMBL606090 | 0.67 | — | — | |
| SCHEMBL7588197 | 0.65 | — | — | |
| SCHEMBL30941808 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL11769961 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL7361026 | 0.65 | — | — | |
| SCHEMBL6987286 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL31078512 | 0.64 | — | — |
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-0700383-A1 | NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS | SYNTEX (U.S.A.) INC. (US) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027965-A1 | NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS | SYNTEX (U.S.A.) INC. (US) | 1994-12-08 | — | — | WO | disclosed |