⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4600215 | 1.00 | — | — | |
| SCHEMBL2491154 | 0.89 | — | — | |
| SCHEMBL2491156 | 0.89 | — | — | |
| SCHEMBL15961195 | 0.78 | — | — | |
| SCHEMBL15961193 | 0.78 | — | — | |
| SCHEMBL6005476 | 0.76 | — | — | |
| SCHEMBL6005481 | 0.76 | — | — | |
| SCHEMBL442773 | 0.72 | — | — | |
| SCHEMBL443063 | 0.72 | — | — | |
| SCHEMBL443062 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1924593-A1 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1910404-A1 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007015787-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2007015855-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |