⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3233265 | 0.79 | — | — | |
| SCHEMBL3636842 | 0.78 | — | — | |
| SCHEMBL42212 | 0.72 | — | — | |
| SCHEMBL42708 | 0.67 | — | — | |
| SCHEMBL2210080 | 0.65 | — | — | |
| SCHEMBL17798828 | 0.65 | — | — | |
| SCHEMBL709977 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL177556 | 0.65 | — | — | |
| SCHEMBL216689 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL215376 | 0.65 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100074867-A1 | P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE | Schering Corporation Patent Department, K-6-1; 1990 (US) | 2010-03-25 | — | — | US | disclosed |
| US-20100074973-A1 | THIOXANTHENE MODULATORS OF DOPAMINE D2 RECEPTORS | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-03-25 | — | — | US | disclosed |
| CN-101679240-A | P1-non-epimerizable ketoamide inhibitors of HCV NS3 protease | SCHERING CORP | 2010-03-24 | — | — | CN | disclosed |
| EP-2139854-A2 | P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE | SCHERING CORPORATION (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2009008913-A2 | P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE | SCHERING CORPORATION (US) | 2009-01-15 | — | — | WO | disclosed |