⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104836 | 0.97 | — | — | |
| SCHEMBL14011249 | 0.97 | — | — | |
| SCHEMBL12037552 | 0.94 | — | — | |
| SCHEMBL436990 | 0.90 | — | — | |
| SCHEMBL13622549 | 0.82 | — | — | |
| SCHEMBL13622550 | 0.82 | — | — | |
| SCHEMBL13622545 | 0.80 | — | — | |
| SCHEMBL19347272 | 0.80 | — | — | |
| SCHEMBL737450 | 0.78 | CYP1A2 (0.35) | — | |
| SCHEMBL11456146 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120059162-A1 | FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-03-08 | — | — | US | disclosed |
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |