⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11303901 | 0.66 | — | — | |
| SCHEMBL654918 | 0.63 | — | — | |
| SCHEMBL6027835 | 0.52 | — | — | |
| SCHEMBL8386808 | 0.50 | — | — | |
| SCHEMBL18506106 | 0.49 | — | — | |
| SCHEMBL10514314 | 0.48 | — | — | |
| SCHEMBL10950254 | 0.47 | — | — | |
| SCHEMBL16203318 | 0.46 | GSK3B (0.31) | — | |
| SCHEMBL131371 | 0.45 | TSHR (0.39) | — | |
| SCHEMBL6262656 | 0.44 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261611-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001064678-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-07 | — | — | WO | disclosed |