⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1274061 | 1.00 | — | — | |
| SCHEMBL1274063 | 1.00 | — | — | |
| SCHEMBL19988476 | 0.94 | — | — | |
| SCHEMBL13807049 | 0.94 | — | — | |
| SCHEMBL12829162 | 0.94 | — | — | |
| SCHEMBL4175207 | 0.94 | — | — | |
| SCHEMBL5158025 | 0.92 | CA1 (0.36) | — | |
| SCHEMBL7130840 | 0.84 | GBA1 (0.32) | — | |
| SCHEMBL1819105 | 0.82 | — | — | |
| SCHEMBL23687099 | 0.80 | CA1 (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114173787-A | Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases | 杨森科学爱尔兰无限公司 | 2022-03-11 | — | — | CN | disclosed |
| EP-1879607-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-12 | — | — | EP | disclosed |
| US-7879797-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |
| US-20090075869-A1 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME LLC | 2009-03-19 | — | — | US | disclosed |
| EP-1879607-A2 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006119061-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2006-11-09 | — | — | WO | disclosed |