⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25324184 | 0.76 | — | — | |
| SCHEMBL8764111 | 0.74 | — | — | |
| SCHEMBL1013148 | 0.73 | — | — | |
| SCHEMBL2780467 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL660786 | 0.73 | — | — | |
| SCHEMBL4655872 | 0.73 | — | — | |
| SCHEMBL7553235 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL3663159 | 0.72 | — | — | |
| SCHEMBL11093754 | 0.72 | — | — | |
| SCHEMBL6331404 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7619094-B2 | Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus | SCHERING CORPORATION (US) | 2009-11-17 | — | — | US | disclosed |
| US-20070093430-A1 | Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus | MERCK SHARP & DOHME CORP. | 2007-04-26 | — | — | US | disclosed |
| US-7173057-B2 | Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus | SCHERING CORPORATION (US) | 2007-02-06 | — | — | US | disclosed |