⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3052772 | 1.00 | — | — | |
| SCHEMBL27853934 | 1.00 | — | — | |
| SCHEMBL6117405 | 1.00 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28094705 | 0.87 | — | — | |
| SCHEMBL12891807 | 0.80 | — | — | |
| SCHEMBL8025988 | 0.80 | — | — | |
| SCHEMBL7638382 | 0.80 | — | — | |
| SCHEMBL6117957 | 0.80 | — | — | |
| SCHEMBL1952619 | 0.80 | — | — | |
| SCHEMBL13757668 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8937080-B2 | Pyrimidine substituted macrocyclic HCV inhibitors | MEDIVIR AB (SE) | 2015-01-20 | — | — | US | disclosed |
| US-20100113440-A1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | TIBOTEC PHARMACEUTICALS, LTD. (IE) | 2010-05-06 | — | — | US | disclosed |
| US-7700552-B2 | Macrocyclic inhibitors of hepatitis C virus | MEDIVIR AB (SE) | 2010-04-20 | — | — | US | disclosed |
| US-20090023758-A1 | Macrocyclic Inhibitors of Hepatitis C Virus | MEDIVIR AB (SE) | 2009-01-22 | — | — | US | disclosed |