⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6160657 | 0.84 | — | — | |
| SCHEMBL7534930 | 0.81 | — | — | |
| SCHEMBL6163889 | 0.80 | — | — | |
| SCHEMBL6161423 | 0.73 | — | — | |
| SCHEMBL6159829 | 0.72 | — | — | |
| SCHEMBL6159183 | 0.71 | — | — | |
| SCHEMBL6161915 | 0.69 | — | — | |
| SCHEMBL6157907 | 0.69 | — | — | |
| SCHEMBL6160381 | 0.69 | — | — | |
| SCHEMBL7680322 | 0.68 | P2RX7 (0.42) | — |
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-A1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000027823-A1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2000-05-18 | — | — | WO | disclosed |