⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6160341 | 0.90 | — | — | |
| SCHEMBL6161063 | 0.90 | — | — | |
| SCHEMBL7680251 | 0.88 | — | — | |
| SCHEMBL6161056 | 0.85 | — | — | |
| SCHEMBL6163214 | 0.83 | — | — | |
| SCHEMBL6159865 | 0.83 | — | — | |
| SCHEMBL6159183 | 0.82 | — | — | |
| SCHEMBL6159100 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL6159447 | 0.82 | CCKBR (0.57) | — | |
| SCHEMBL6158272 | 0.81 | — | — |
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-1178969-B1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | BLACK JAMES FOUNDATION (GB) | 2005-07-13 | — | — | EP | disclosed |
| US-6479531-B1 | Gastrin and cholecystokinin receptor ligands | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |