⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL732801 | 1.00 | — | — | |
| SCHEMBL1166568 | 1.00 | — | — | |
| SCHEMBL27768736 | 0.83 | GRM4 (0.32) | — | |
| SCHEMBL14302406 | 0.83 | GRM4 (0.32) | — | |
| SCHEMBL3514429 | 0.83 | GRM4 (0.32) | — | |
| SCHEMBL751481 | 0.80 | — | — | |
| SCHEMBL732180 | 0.80 | — | — | |
| SCHEMBL731252 | 0.79 | — | — | |
| SCHEMBL749111 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL749951 | 0.79 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8377873-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-02-19 | — | — | US | disclosed |
| US-8138164-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-1778702-B1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES INC (US) | 2011-07-13 | — | — | EP | disclosed |
| EP-2316839-A1 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2011-05-04 | — | — | EP | disclosed |
| US-20100317623-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2010-12-16 | — | — | US | disclosed |
| US-20100298210-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2010-11-25 | — | — | US | disclosed |
| US-7642339-B2 | Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester | GILEAD SCIENCES, INC. (US) | 2010-01-05 | — | — | US | disclosed |
| US-7642339-B2 | Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester | GILEAD SCIENCES, INC. (US) | 2010-01-05 | — | — | US | disclosed |
| US-20080311077-A1 | Antiviral Compounds | GILEAD SCIENCES, INC. | 2008-12-18 | — | — | US | disclosed |
| US-20080311077-A1 | Antiviral Compounds | GILEAD SCIENCES, INC. | 2008-12-18 | — | — | US | disclosed |
| WO-2006020276-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-02-23 | — | — | WO | disclosed |