⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6160137 | 0.87 | — | — | |
| SCHEMBL6160081 | 0.83 | — | — | |
| SCHEMBL6159449 | 0.82 | CCKBR (0.43) | — | |
| SCHEMBL6161308 | 0.78 | EPHX2 (0.39) | — | |
| SCHEMBL6159337 | 0.77 | — | — | |
| SCHEMBL7080456 | 0.76 | — | — | |
| SCHEMBL6164126 | 0.76 | — | — | |
| SCHEMBL6160341 | 0.75 | — | — | |
| SCHEMBL6163167 | 0.73 | — | — | |
| SCHEMBL6160853 | 0.72 | CCKBR (0.54) | — |
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 |