⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12880872 | 0.92 | — | — | |
| SCHEMBL12880867 | 0.91 | — | — | |
| SCHEMBL12880899 | 0.91 | — | — | |
| SCHEMBL12880911 | 0.90 | CYP3A4 (0.63) | — | |
| SCHEMBL12880984 | 0.90 | CYP3A4 (0.56) | — | |
| SCHEMBL12880890 | 0.89 | CYP3A4 (0.58) | — | |
| SCHEMBL12880941 | 0.88 | CYP3A4 (0.56) | — | |
| SCHEMBL12880999 | 0.88 | CYP3A4 (0.55) | — | |
| SCHEMBL12880963 | 0.88 | CYP3A4 (0.58) | — | |
| SCHEMBL12880934 | 0.87 | CYP3A4 (0.55) | — |
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-7888464-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |
| US-7888464-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |
| US-20090274648-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-11-05 | — | — | US | disclosed |
| US-20090274648-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-11-05 | — | — | US | disclosed |