⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3526968 | 0.87 | — | — | |
| SCHEMBL4166425 | 0.87 | — | — | |
| SCHEMBL3523171 | 0.81 | MMP1 (0.34) | — | |
| SCHEMBL16628772 | 0.79 | ADRB3 (0.36) | — | |
| SCHEMBL16628773 | 0.79 | ADRB3 (0.36) | — | |
| SCHEMBL995888 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL19215370 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL10156974 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL8239738 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL995885 | 0.76 | ALDH1A1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666834-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2010-02-23 | — | — | US | disclosed |
| US-20090105302-A1 | Macrocylic Inhibitors of Hepatitis C Virus | JANSSEN SCIENCES IRELAND UC (IE) | 2009-04-23 | — | — | US | disclosed |