⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16297979 | 1.00 | — | — | |
| SCHEMBL12856079 | 0.93 | CPB2 (0.31) | — | |
| SCHEMBL8291136 | 0.90 | — | — | |
| SCHEMBL8290590 | 0.90 | — | — | |
| SCHEMBL16349664 | 0.88 | — | — | |
| SCHEMBL8291298 | 0.87 | — | — | |
| SCHEMBL8248377 | 0.87 | — | — | |
| SCHEMBL13685706 | 0.85 | — | — | |
| SCHEMBL12606704 | 0.82 | — | — | |
| SCHEMBL12607434 | 0.82 | — | — |
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-20110150835-A1 | Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease | SCHERING CORPORATION | 2011-06-23 | — | — | US | disclosed |
| 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 |
| WO-2006113942-A2 | METHOD OF INHIBITING CATHEPSIN ACTIVITY | SCHERING CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |