⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5005241 | 0.85 | — | — | |
| SCHEMBL29794381 | 0.67 | — | — | |
| SCHEMBL3121611 | 0.65 | — | — | |
| SCHEMBL159809 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6368777 | 0.58 | — | — | |
| SCHEMBL8671099 | 0.56 | — | — | |
| SCHEMBL40708 | 0.56 | — | — | |
| SCHEMBL5672376 | 0.55 | — | — | |
| SCHEMBL4777651 | 0.55 | — | — | |
| SCHEMBL3634407 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8309540-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-11-13 | — | — | US | disclosed |
| US-20100093779-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-15 | — | — | US | disclosed |
| EP-2086982-A1 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2009-08-12 | — | — | EP | disclosed |
| WO-2008057209-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-15 | — | — | WO | disclosed |
| EP-1913016-A1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007016441-A1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |