⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8270197 | 0.78 | — | — | |
| SCHEMBL11249491 | 0.73 | — | — | |
| SCHEMBL16313160 | 0.73 | — | — | |
| SCHEMBL13083025 | 0.65 | — | — | |
| SCHEMBL13818317 | 0.65 | — | — | |
| SCHEMBL12138109 | 0.65 | — | — | |
| SCHEMBL19083875 | 0.65 | — | — | |
| SCHEMBL8269449 | 0.65 | — | — | |
| SCHEMBL21075180 | 0.63 | MEN1 (0.35) | — | |
| SCHEMBL1128109 | 0.63 | — | — |
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 |