⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4692611 | 0.86 | NR1H2 (0.30) | — | |
| SCHEMBL4693024 | 0.76 | — | — | |
| SCHEMBL4152612 | 0.69 | MAPT (0.34) | — | |
| SCHEMBL4138268 | 0.64 | MEN1 (0.35) | — | |
| SCHEMBL20604149 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL4155668 | 0.61 | MAPT (0.34) | — | |
| SCHEMBL22775698 | 0.61 | CTSL (0.31) | — | |
| SCHEMBL20604218 | 0.60 | CTSL (0.36) | — | |
| SCHEMBL10762496 | 0.60 | — | — | |
| SCHEMBL25295175 | 0.59 | TP53 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090018329-A1 | NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2009-01-15 | — | — | US | disclosed |
| US-7439253-B2 | Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors | NOVEXEL (FR) | 2008-10-21 | — | — | US | disclosed |
| US-20040157826-A1 | Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors | AVENTIS PHARMA S.A. (FR) | 2004-08-12 | — | — | US | disclosed |