⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14544873 | 0.82 | F2 (0.36) | — | |
| SCHEMBL8282905 | 0.78 | PIK3CD (0.42) | — | |
| SCHEMBL24220557 | 0.69 | ELANE (0.53) | — | |
| SCHEMBL25153632 | 0.61 | BRD4 (0.33) | — | |
| SCHEMBL127168 | 0.61 | — | — | |
| SCHEMBL29348256 | 0.60 | — | — | |
| SCHEMBL8283747 | 0.60 | HTR1A (0.42) | — | |
| SCHEMBL15986199 | 0.60 | — | — | |
| SCHEMBL1685186 | 0.59 | — | — | |
| SCHEMBL15698517 | 0.59 | MAPT (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 |
|---|---|---|---|---|---|---|---|
| EP-1730142-B1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2011-06-29 | — | — | EP | disclosed |