⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12606620 | 0.89 | PLG (0.32) | — | |
| SCHEMBL13685239 | 0.89 | PLG (0.32) | — | |
| SCHEMBL13685131 | 0.89 | PLG (0.32) | — | |
| SCHEMBL16298035 | 0.89 | PLG (0.32) | — | |
| SCHEMBL12606593 | 0.89 | PLG (0.32) | — | |
| SCHEMBL13685095 | 0.89 | PLG (0.32) | — | |
| SCHEMBL12606591 | 0.74 | BACE1 (0.35) | — | |
| SCHEMBL13685200 | 0.74 | BACE1 (0.35) | — | |
| SCHEMBL13685100 | 0.74 | F2 (0.33) | — | |
| SCHEMBL12607798 | 0.70 | BACE1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009058856-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2009-05-07 | — | — | WO | disclosed |