⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28666172 | 0.72 | PTGS2 (0.37) | — | |
| SCHEMBL4697287 | 0.70 | LMNA (0.35) | — | |
| SCHEMBL5670961 | 0.66 | FABP4 (0.41) | — | |
| SCHEMBL4926455 | 0.65 | ALDH1A1 (0.49) | — | |
| SCHEMBL9342917 | 0.65 | ALDH1A1 (0.49) | — | |
| SCHEMBL20604218 | 0.65 | CTSL (0.36) | — | |
| SCHEMBL22775698 | 0.62 | CTSL (0.31) | — | |
| SCHEMBL12263257 | 0.62 | — | — | |
| SCHEMBL1474860 | 0.61 | — | — | |
| SCHEMBL21677184 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569935-B1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2008-08-20 | — | — | EP | disclosed |
| EP-1569935-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | Aventis Pharma S.A. (FR) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052891-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2004-06-24 | — | — | WO | disclosed |