⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4977363 | 0.83 | — | — | |
| SCHEMBL4977301 | 0.79 | — | — | |
| SCHEMBL4983532 | 0.79 | — | — | |
| SCHEMBL4978610 | 0.76 | — | — | |
| SCHEMBL4977033 | 0.75 | — | — | |
| SCHEMBL4979138 | 0.74 | — | — | |
| SCHEMBL4981528 | 0.73 | ABCC4 (0.31) | — | |
| SCHEMBL4982715 | 0.73 | ABCC4 (0.31) | — | |
| SCHEMBL4977504 | 0.72 | TAS2R14 (0.38) | — | |
| SCHEMBL4978747 | 0.71 | RIPK1 (0.34) | — |
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 3 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 |
| US-6878722-B2 | Substituted cycloalkyl P1′ hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-12 | — | — | US | disclosed |
| US-20040077551-A1 | Substituted cycloalkyl P1' hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-04-22 | — | — | US | disclosed |