⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27119095 | 0.76 | GBA1 (0.32) | — | |
| SCHEMBL19645693 | 0.76 | KCNH2 (0.31) | — | |
| SCHEMBL2709173 | 0.75 | KCNH2 (0.31) | — | |
| SCHEMBL17039191 | 0.73 | GBA1 (0.34) | — | |
| SCHEMBL4551162 | 0.72 | — | — | |
| SCHEMBL6150300 | 0.72 | — | — | |
| SCHEMBL17036516 | 0.71 | — | — | |
| SCHEMBL27347811 | 0.71 | GABRA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL23250056 | 0.70 | TDP1 (0.32) | — | |
| SCHEMBL6449272 | 0.70 | — | — |
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-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 |