⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114603 | 0.76 | — | — | |
| SCHEMBL1673128 | 0.67 | — | — | |
| SCHEMBL4721988 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL14721440 | 0.65 | — | — | |
| SCHEMBL138565 | 0.65 | — | — | |
| SCHEMBL3155951 | 0.64 | — | — | |
| SCHEMBL1063573 | 0.64 | — | — | |
| SCHEMBL2065823 | 0.64 | — | — | |
| SCHEMBL30636164 | 0.63 | CYP1A2 (0.47) | — | |
| SCHEMBL2420409 | 0.63 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8754105-B2 | Macrocyclic inhibitors of hepatitis C virus | MEDIVIR AB (SE) | 2014-06-17 | — | — | US | disclosed |
| CN-101273042-B | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARM LTD | 2013-11-06 | — | — | CN | disclosed |
| EP-1912996-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN R & D IRELAND (IE) | 2012-06-20 | — | — | EP | disclosed |
| US-20110237621-A1 | Macrocyclic Inhibitors of Hepatitis C Virus | JANSSEN SCIENCES IRELAND UC (IE) | 2011-09-29 | — | — | US | disclosed |
| US-20100120855-A1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARMACEUTICALS LTD. | 2010-05-13 | — | — | US | disclosed |
| CN-101273042-A | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARM LTD (IE) | 2008-09-24 | — | — | CN | disclosed |
| WO-2008096002-A1 | HCV INHIBITING MACROCYCLIC PHOSPHONATES AND AMIDOPHOSPHATES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-08-14 | — | — | WO | disclosed |
| EP-1912996-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | Tibotec Pharmaceuticals Ltd. (IE) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007014920-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-02-08 | — | — | WO | disclosed |