⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15423596 | 1.00 | — | — | |
| SCHEMBL14969502 | 1.00 | — | — | |
| SCHEMBL12248210 | 1.00 | — | — | |
| SCHEMBL2172563 | 1.00 | — | — | |
| SCHEMBL13395257 | 1.00 | — | — | |
| SCHEMBL18721798 | 0.88 | FAAH (0.34) | — | |
| SCHEMBL21129633 | 0.88 | FAAH (0.34) | — | |
| SCHEMBL1070419 | 0.85 | — | — | |
| SCHEMBL21129634 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL1073649 | 0.79 | CA1 (0.45) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2086982-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-08-29 | — | — | EP | disclosed |
| US-9738661-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-22 | — | — | US | disclosed |
| US-20150266897-A1 | HCV NS3 Protease Inhibitors | MSD ITALIA S.R.L. (IT) | 2015-09-24 | — | — | US | disclosed |
| EP-2540350-B1 | COMBINATIONS OF A MACROCYCLIC QUINOXALINE COMPOUND WHICH IS AN HCV NS3 PROTEASE INHIBITOR WITH OTHER HCV AGENTS | MERCK SHARP & DOHME (US) | 2014-05-21 | — | — | EP | disclosed |
| EP-2540349-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING A MACROCYCLIC QUINOXALINE COMPOUND WHICH IS AN HCV NS3 PROTEASE INHIBITOR | MERCK SHARP & DOHME (US) | 2014-02-12 | — | — | EP | disclosed |
| EP-2540349-A1 | Pharmaceutical compositions comprising a macrocyclic quinoxaline compound which is an HCV NS3 protease inhibitor | Merck Sharp & Dohme Corp. (US) | 2013-01-02 | — | — | EP | disclosed |
| EP-2540350-A1 | Combinations of a macrocyclic quinoxaline compound which is an HCV NS3 protease inhibitors with other HCV agents | Merck Sharp & Dohme Corp. (US) | 2013-01-02 | — | — | EP | disclosed |
| EP-2310095-B1 | MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2012-08-29 | — | — | EP | disclosed |
| US-8080654-B2 | Macrocyclic quinoxaline compounds as HCV NS3 protease inhibitors | Insituto di Ricerche di Biologia Molecolare P. Angeletti SpA (IT) | 2011-12-20 | — | — | US | disclosed |
| US-20110224134-A1 | MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-09-15 | — | — | US | disclosed |
| US-7973040-B2 | Macrocyclic quinoxaline compounds as HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-07-05 | — | — | US | disclosed |
| US-20100099695-A1 | HCV NS3 Protease Inhibitors | MSD ITALIA S.R.L. (IT) | 2010-04-22 | — | — | US | disclosed |
| US-20100029666-A1 | Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2010-02-04 | — | — | 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 |