⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14624067 | 1.00 | — | — | |
| SCHEMBL8204196 | 0.87 | CYP3A4 (0.45) | — | |
| SCHEMBL13646899 | 0.87 | — | — | |
| SCHEMBL13646965 | 0.84 | — | — | |
| SCHEMBL13650906 | 0.84 | — | — | |
| SCHEMBL7918404 | 0.80 | CYP3A4 (0.45) | — | |
| SCHEMBL12762641 | 0.80 | CYP3A4 (0.45) | — | |
| SCHEMBL7924042 | 0.80 | CYP3A4 (0.45) | — | |
| SCHEMBL13650901 | 0.80 | — | — | |
| SCHEMBL13521393 | 0.79 | — | — |
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-7601686-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-13 | — | — | US | disclosed |
| EP-1904516-A2 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008657-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-18 | — | — | WO | disclosed |
| US-20070010455-A1 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-01-11 | — | — | US | disclosed |