⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6169306 | 0.92 | — | — | |
| SCHEMBL2924829 | 0.86 | — | — | |
| SCHEMBL14110147 | 0.74 | — | — | |
| SCHEMBL17763397 | 0.74 | — | — | |
| SCHEMBL16672892 | 0.74 | — | — | |
| SCHEMBL23367511 | 0.74 | — | — | |
| SCHEMBL6586875 | 0.74 | — | — | |
| SCHEMBL6873581 | 0.74 | — | — | |
| SCHEMBL2387433 | 0.74 | — | — | |
| SCHEMBL341390 | 0.74 | CYP2C19 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6239131-B1 | WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-29 | — | — | US | disclosed |
| EP-0355353-B1 | Cycloalkylthiazole derivatives | HOFFMANN LA ROCHE (CH) | 1994-03-16 | — | — | EP | disclosed |
| US-5001140-A | Cycloalkylthiazoles | HOFFMANN-LA ROCHE INC. (US) | 1991-03-19 | — | — | US | disclosed |
| EP-0355353-A2 | Cycloalkylthiazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-02-28 | — | — | EP | disclosed |