⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12600793 | 0.76 | CHRM2 (0.44) | — | |
| SCHEMBL8283745 | 0.73 | HTR1A (0.43) | — | |
| SCHEMBL8282176 | 0.73 | CYP2C9 (0.32) | — | |
| SCHEMBL8294610 | 0.73 | PIK3CD (0.39) | — | |
| SCHEMBL8407582 | 0.71 | — | — | |
| SCHEMBL8282173 | 0.65 | POLB (0.42) | — | |
| SCHEMBL12601121 | 0.61 | PLA2G7 (0.31) | — | |
| SCHEMBL22143918 | 0.60 | — | — | |
| SCHEMBL16792340 | 0.60 | — | — | |
| SCHEMBL23033168 | 0.59 | — | — |
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-2005085242-A1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-09-15 | — | — | WO | disclosed |