⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8382400 | 1.00 | — | — | |
| SCHEMBL13360858 | 1.00 | — | — | |
| SCHEMBL13262363 | 1.00 | — | — | |
| SCHEMBL13636364 | 0.69 | — | — | |
| SCHEMBL12357634 | 0.65 | — | — | |
| SCHEMBL578074 | 0.65 | — | — | |
| SCHEMBL635282 | 0.65 | — | — | |
| SCHEMBL14302406 | 0.65 | GRM4 (0.32) | — | |
| SCHEMBL8380530 | 0.65 | — | — | |
| SCHEMBL1101946 | 0.65 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120232247-A1 | PROCESSES FOR PREPARING PROTEASE INHIBITORS OF HEPATITIS C VIRUS | MERCK SHARP & DOHME CORP. | 2012-09-13 | — | — | US | disclosed |
| US-8227407-B2 | Macrocyclic inhibitors of hepatitis C virus | MEDIVIR AB (SE) | 2012-07-24 | — | — | US | disclosed |
| US-8012939-B2 | Macrocyclic inhibitors of hepatitis C virus | Tibotec Pharmaceuticals Ltd. Co (IE) | 2011-09-06 | — | — | US | disclosed |
| US-8008251-B2 | Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2011-08-30 | — | — | US | disclosed |
| CN-101228180-B | Tripeptides as hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO | 2011-03-09 | — | — | CN | disclosed |
| US-RE42164-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2011-02-22 | — | — | US | disclosed |
| US-20100323953-A1 | MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS | PHENOMIX CORPORATION (US) | 2010-12-23 | — | — | US | disclosed |
| US-RE41894-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2010-10-26 | — | — | US | disclosed |
| US-20100173939-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-07-08 | — | — | US | disclosed |
| WO-2010075127-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-07-01 | — | — | WO | disclosed |
| US-RE41356-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2010-05-25 | — | — | US | disclosed |
| US-7666834-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2010-02-23 | — | — | US | disclosed |
| US-20100022578-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN SCIENCES IRELAND UC (IE) | 2010-01-28 | — | — | US | disclosed |
| US-20090281141-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN SCIENCES IRELAND UC (IE) | 2009-11-12 | — | — | US | disclosed |
| US-20090274648-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-11-05 | — | — | US | disclosed |
| US-20090105302-A1 | Macrocylic Inhibitors of Hepatitis C Virus | JANSSEN SCIENCES IRELAND UC (IE) | 2009-04-23 | — | — | US | disclosed |
| US-20090062311-A1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN SCIENCES IRELAND UC (IE) | 2009-03-05 | — | — | US | disclosed |
| EP-2028186-A2 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2009-02-25 | — | — | EP | disclosed |
| CN-101228180-A | Tripeptides as hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-07-23 | — | — | CN | disclosed |