⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12606687 | 0.89 | — | — | |
| SCHEMBL12607432 | 0.81 | — | — | |
| SCHEMBL8291706 | 0.80 | CPB2 (0.30) | — | |
| SCHEMBL8052409 | 0.77 | CPB2 (0.31) | — | |
| SCHEMBL13685594 | 0.77 | CPB2 (0.31) | — | |
| SCHEMBL12606696 | 0.75 | — | — | |
| SCHEMBL12606685 | 0.74 | — | — | |
| SCHEMBL8050247 | 0.74 | — | — | |
| SCHEMBL8045685 | 0.72 | — | — | |
| SCHEMBL8046972 | 0.71 | — | — |
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-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |