⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL7691039 | 0.97 | — | — | |
| SCHEMBL20076757 | 0.75 | — | — | |
| SCHEMBL10771052 | 0.72 | — | — | |
| SCHEMBL9490936 | 0.69 | — | — | |
| Water SCHEMBL5858312 | 0.67 | CYP1A2 (0.37) | — | |
| SCHEMBL13597609 | 0.67 | — | — | |
| SCHEMBL3120245 | 0.67 | — | — | |
| SCHEMBL140066 | 0.67 | — | — | |
| SCHEMBL561857 | 0.67 | — | — | |
| SCHEMBL5295103 | 0.65 | PTGS1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5206238-A | Cholecystokinin antagonists | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0486271-A2 | Cholecystokinin antagonists for treating neurological disorders | MERCK & CO. INC. (US) | 1992-05-20 | — | — | EP | disclosed |