⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21789849 | 1.00 | — | — | |
| SCHEMBL24768559 | 0.72 | — | — | |
| SCHEMBL8272061 | 0.72 | — | — | |
| SCHEMBL24768558 | 0.72 | — | — | |
| SCHEMBL22823927 | 0.72 | THRB (0.35) | — | |
| SCHEMBL14552924 | 0.70 | — | — | |
| SCHEMBL24471098 | 0.69 | — | — | |
| SCHEMBL20803766 | 0.67 | — | — | |
| SCHEMBL18555364 | 0.67 | — | — | |
| SCHEMBL24768334 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1939213-A1 | Novel compounds as inhibitors of hepatitis C virus NS3 serine protease | SCHERING CORPORATION (US) | 2008-07-02 | — | — | EP | disclosed |