⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3702245 | 0.68 | BTK (0.32) | — | |
| SCHEMBL2843882 | 0.65 | — | — | |
| SCHEMBL3521616 | 0.65 | — | — | |
| SCHEMBL12658467 | 0.56 | CCR2 (0.31) | — | |
| SCHEMBL3046852 | 0.56 | CA12 (0.33) | — | |
| SCHEMBL3049076 | 0.56 | CA12 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3046230 | 0.55 | CA12 (0.32) | — | |
| SCHEMBL12951969 | 0.53 | — | — | |
| SCHEMBL4178230 | 0.52 | — | — | |
| SCHEMBL4954677 | 0.46 | ALDH1A1 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9023808-B2 | Macrocyclic inhibitors of hepatitis C virus | MEDIVIR AB (SE) | 2015-05-05 | — | — | US | disclosed |
| EP-2111396-B1 | HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES | JANSSEN R & D IRELAND (IE) | 2013-08-07 | — | — | EP | disclosed |
| US-8383584-B2 | HCV inhibiting macrocyclic phenylcarbamates | MEDIVIR AB (SE) | 2013-02-26 | — | — | US | disclosed |
| US-7666834-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2010-02-23 | — | — | US | disclosed |
| US-20100041728-A1 | HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES | MEDIVIR AB | 2010-02-18 | — | — | US | disclosed |
| US-20090247512-A1 | MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN SCIENCES IRELAND UC (IE) | 2009-10-01 | — | — | US | disclosed |
| US-20090105302-A1 | Macrocylic Inhibitors of Hepatitis C Virus | JANSSEN SCIENCES IRELAND UC (IE) | 2009-04-23 | — | — | US | disclosed |