⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13685219 | 1.00 | — | — | |
| SCHEMBL16349817 | 0.91 | NAAA (0.30) | — | |
| SCHEMBL16349736 | 0.91 | NAAA (0.30) | — | |
| SCHEMBL8291427 | 0.90 | — | — | |
| SCHEMBL13685065 | 0.90 | — | — | |
| SCHEMBL13685771 | 0.90 | — | — | |
| SCHEMBL8054288 | 0.87 | GAA (0.30) | — | |
| SCHEMBL16349819 | 0.87 | GAA (0.30) | — | |
| SCHEMBL13684986 | 0.87 | GAA (0.30) | — | |
| SCHEMBL8291626 | 0.87 | NAAA (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 |