⚠ 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 | |
|---|---|---|---|---|
| Formamide SCHEMBL28747781 | 0.75 | LMNA (0.53) | — | |
| SCHEMBL3795027 | 0.75 | PTGS1 (0.45) | — | |
| SCHEMBL5738161 | 0.74 | PTGS1 (0.39) | — | |
| SCHEMBL1512764 | 0.73 | — | — | |
| SCHEMBL2469910 | 0.73 | — | — | |
| SCHEMBL16685300 | 0.72 | — | — | |
| SCHEMBL28297002 | 0.71 | — | — | |
| SCHEMBL720286 | 0.71 | — | — | |
| SCHEMBL5923768 | 0.71 | — | — | |
| SCHEMBL373872 | 0.71 | — | — |
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-1140203-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035488-A2 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-06-22 | — | — | WO | disclosed |