⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11221018 | 0.77 | — | — | |
| SCHEMBL12003048 | 0.72 | — | — | |
| SCHEMBL1582978 | 0.72 | — | — | |
| SCHEMBL2974131 | 0.72 | POLB (0.31) | — | |
| SCHEMBL1779453 | 0.71 | — | — | |
| SCHEMBL5319426 | 0.67 | — | — | |
| SCHEMBL1135562 | 0.67 | POLB (0.31) | — | |
| SCHEMBL22031689 | 0.67 | — | — | |
| SCHEMBL1481870 | 0.67 | — | — | |
| SCHEMBL8466 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050143391-A1 | Heterocyclic amides with alpha-4 integrin antagonist activity | J. Uriach Y Compañia S.A. (ES) | 2005-06-30 | — | — | US | disclosed |
| EP-1495044-A1 | HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY | J. Uriach y Compania S.A. (ES) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003084984-A1 | HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY | J. URIACH Y COMPANIA S.A. (ES) | 2003-10-16 | — | — | WO | disclosed |