⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13685647 | 0.91 | — | — | |
| SCHEMBL13685665 | 0.90 | — | — | |
| SCHEMBL13685649 | 0.84 | — | — | |
| SCHEMBL8289630 | 0.83 | PPIA (0.31) | — | |
| SCHEMBL13685576 | 0.80 | BACE1 (0.33) | — | |
| SCHEMBL13685725 | 0.79 | — | — | |
| SCHEMBL12608386 | 0.79 | — | — | |
| SCHEMBL8290345 | 0.79 | — | — | |
| SCHEMBL8291430 | 0.79 | — | — | |
| SCHEMBL8291490 | 0.77 | PPIA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |