⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4979147 | 0.82 | — | — | |
| SCHEMBL51472 | 0.72 | — | — | |
| SCHEMBL579236 | 0.71 | — | — | |
| SCHEMBL635121 | 0.69 | CA1 (0.37) | — | |
| SCHEMBL4977195 | 0.65 | CA2 (0.37) | — | |
| SCHEMBL26116887 | 0.64 | — | — | |
| SCHEMBL15706017 | 0.64 | — | — | |
| SCHEMBL27835218 | 0.64 | CA12 (0.32) | — | |
| SCHEMBL28271505 | 0.64 | CA2 (0.39) | — | |
| SCHEMBL13728548 | 0.62 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505945-B1 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-11-05 | — | — | EP | disclosed |
| EP-1505945-A4 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-11-22 | — | — | EP | disclosed |
| US-6878722-B2 | Substituted cycloalkyl P1′ hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-12 | — | — | US | disclosed |
| EP-1505945-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2005-02-16 | — | — | EP | disclosed |
| WO-2004043339-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |
| WO-2004043339-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |
| US-20040077551-A1 | Substituted cycloalkyl P1' hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-04-22 | — | — | US | disclosed |