⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4149087 | 0.88 | PTPN2 (0.30) | — | |
| SCHEMBL4692611 | 0.85 | NR1H2 (0.30) | — | |
| SCHEMBL4694873 | 0.79 | NR1D1 (0.34) | — | |
| SCHEMBL5261114 | 0.72 | EDNRB (0.33) | — | |
| SCHEMBL4695109 | 0.70 | PTPRC (0.33) | — | |
| SCHEMBL4145065 | 0.68 | NR1D1 (0.33) | — | |
| SCHEMBL24326337 | 0.67 | REN (0.37) | — | |
| SCHEMBL4693028 | 0.65 | GSTO1 (0.36) | — | |
| SCHEMBL5186385 | 0.65 | EDNRB (0.32) | — | |
| SCHEMBL4155668 | 0.63 | MAPT (0.34) | — |
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-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 |