⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22824811 | 0.80 | — | — | |
| SCHEMBL8351610 | 0.73 | — | — | |
| SCHEMBL23901817 | 0.71 | — | — | |
| SCHEMBL4489883 | 0.69 | — | — | |
| SCHEMBL18994815 | 0.69 | — | — | |
| SCHEMBL3957282 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL18556668 | 0.69 | — | — | |
| SCHEMBL23606565 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL13684548 | 0.69 | THRB (0.30) | — | |
| SCHEMBL23061698 | 0.65 | TDP1 (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592316-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |
| US-20070286842-A1 | Organic Compounds and Their Uses | NOVARTIS AG (CH) | 2007-12-13 | — | — | US | disclosed |
| US-20070232549-A1 | Novel peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION | 2007-10-04 | — | — | US | disclosed |
| US-7244721-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2007-07-17 | — | — | US | disclosed |
| US-20070032433-A1 | Novel peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. | 2007-02-08 | — | — | US | disclosed |
| WO-2003062265-A2 | NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2003-07-31 | — | — | WO | disclosed |