⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6159839 | 0.91 | — | — | |
| SCHEMBL6158738 | 0.89 | EPHX2 (0.40) | — | |
| SCHEMBL7529476 | 0.85 | FAAH (0.39) | — | |
| SCHEMBL6160443 | 0.81 | PPIA (0.45) | — | |
| SCHEMBL6160885 | 0.81 | EPHX2 (0.37) | — | |
| SCHEMBL7688904 | 0.81 | — | — | |
| SCHEMBL6157631 | 0.80 | — | — | |
| SCHEMBL6158707 | 0.79 | — | — | |
| SCHEMBL6161555 | 0.79 | — | — | |
| SCHEMBL7083621 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6479531-B1 | Gastrin and cholecystokinin receptor ligands | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |