⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2064367 | 0.83 | HPGD (0.33) | — | |
| SCHEMBL2877401 | 0.80 | DGAT1 (0.36) | — | |
| SCHEMBL9554578 | 0.78 | — | — | |
| SCHEMBL4011681 | 0.78 | HPGD (0.30) | — | |
| SCHEMBL2436431 | 0.78 | DGAT1 (0.38) | — | |
| SCHEMBL2434403 | 0.76 | BTK (0.31) | — | |
| SCHEMBL4719980 | 0.75 | BTK (0.32) | — | |
| SCHEMBL6320796 | 0.72 | BTK (0.31) | — | |
| SCHEMBL6608329 | 0.70 | HPGD (0.32) | — | |
| SCHEMBL5568399 | 0.70 | HPGD (0.32) | — |
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 |