⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5260665 | 0.93 | EGLN1 (0.31) | — | |
| SCHEMBL5262528 | 0.91 | EGLN1 (0.30) | — | |
| SCHEMBL5313936 | 0.83 | EGLN1 (0.31) | — | |
| SCHEMBL5262851 | 0.82 | NLRP3 (0.33) | — | |
| SCHEMBL5264252 | 0.78 | PPARG (0.33) | — | |
| SCHEMBL5262856 | 0.78 | DRD1 (0.30) | — | |
| SCHEMBL5260175 | 0.78 | LATS1 (0.33) | — | |
| SCHEMBL5263308 | 0.77 | PPARG (0.33) | — | |
| SCHEMBL5258290 | 0.76 | ITGB1 (0.35) | — | |
| SCHEMBL5260655 | 0.76 | NLRP3 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1332132-B1 | ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES | UCB PHARMA SA (BE) | 2007-10-10 | — | — | EP | disclosed |
| US-6780874-B2 | AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT | CELLTECH R & D LIMITED (GB) | 2004-08-24 | — | — | US | disclosed |
| US-20030229116-A1 | ENAMINE DERIVATIVES | UCB PHARMA S.A. (BE) | 2003-12-11 | — | — | US | disclosed |
| US-6610700-B2 | Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example | CELLTECH R & D LIMITED (GB) | 2003-08-26 | — | — | US | disclosed |
| US-20020037909-A1 | Enamine derivatives | UCB PHARMA S.A. (BE) | 2002-03-28 | — | — | US | disclosed |