⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3523170 | 0.87 | — | — | |
| SCHEMBL4166425 | 0.87 | — | — | |
| SCHEMBL3526970 | 0.84 | ADRB3 (0.32) | — | |
| SCHEMBL13502622 | 0.82 | ADRB3 (0.37) | — | |
| SCHEMBL995143 | 0.82 | ADRB3 (0.37) | — | |
| SCHEMBL995146 | 0.82 | ADRB3 (0.37) | — | |
| SCHEMBL995273 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL995274 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL8249055 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL13502623 | 0.77 | CTSB (0.45) | — |
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-9023808-B2 | Macrocyclic inhibitors of hepatitis C virus | MEDIVIR AB (SE) | 2015-05-05 | — | — | US | disclosed |
| US-7666834-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2010-02-23 | — | — | 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 |