⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12694734 | 0.92 | — | — | |
| SCHEMBL15912396 | 0.73 | — | — | |
| SCHEMBL19521305 | 0.72 | — | — | |
| SCHEMBL14129060 | 0.70 | USP2 (0.31) | — | |
| SCHEMBL9903979 | 0.65 | PDE9A (0.41) | — | |
| SCHEMBL733128 | 0.64 | — | — | |
| SCHEMBL20189848 | 0.64 | — | — | |
| SCHEMBL15218629 | 0.64 | — | — | |
| SCHEMBL15218627 | 0.64 | — | — | |
| SCHEMBL25338672 | 0.63 | KDM4E (0.30) | — |
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-2079479-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | disclosed |
| EP-1913016-B1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-01-16 | — | — | EP | disclosed |
| US-8278322-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-10-02 | — | — | US | disclosed |
| US-20100317623-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2010-12-16 | — | — | US | disclosed |