⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6244342 | 0.77 | — | — | |
| SCHEMBL6496406 | 0.72 | — | — | |
| SCHEMBL6496797 | 0.69 | THRB (0.33) | — | |
| SCHEMBL6499187 | 0.68 | THRB (0.38) | — | |
| SCHEMBL6503743 | 0.68 | — | — | |
| SCHEMBL21852053 | 0.67 | CYP1A2 (0.45) | — | |
| SCHEMBL6498524 | 0.65 | CA2 (0.33) | — | |
| SCHEMBL6505320 | 0.64 | MAOA (0.32) | — | |
| SCHEMBL6242766 | 0.64 | MEN1 (0.36) | — | |
| SCHEMBL2347098 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | claimed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |