⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13307902 | 0.77 | — | — | |
| SCHEMBL20789205 | 0.70 | — | — | |
| SCHEMBL28108454 | 0.60 | — | — | |
| SCHEMBL4281279 | 0.60 | — | — | |
| SCHEMBL28218239 | 0.60 | — | — | |
| SCHEMBL1869500 | 0.60 | — | — | |
| SCHEMBL25330644 | 0.55 | — | — | |
| SCHEMBL11746853 | 0.55 | — | — | |
| SCHEMBL13505207 | 0.55 | — | — | |
| SCHEMBL3510173 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058254-A1 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | disclosed |