⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12608096 | 0.97 | — | — | |
| SCHEMBL12608016 | 0.97 | — | — | |
| SCHEMBL12608010 | 0.97 | GAA (0.31) | — | |
| SCHEMBL8290536 | 0.92 | GAA (0.33) | — | |
| SCHEMBL16349821 | 0.92 | GAA (0.31) | — | |
| SCHEMBL13685751 | 0.91 | F2 (0.32) | — | |
| SCHEMBL8056985 | 0.87 | BACE1 (0.31) | — | |
| SCHEMBL12607510 | 0.86 | — | — | |
| SCHEMBL12606433 | 0.85 | — | — | |
| SCHEMBL13685678 | 0.84 | GAA (0.36) | — |
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-20110150835-A1 | Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease | SCHERING CORPORATION | 2011-06-23 | — | — | US | disclosed |