⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2819757 | 1.00 | — | — | |
| SCHEMBL2817469 | 0.84 | GRIN2B (0.36) | — | |
| SCHEMBL3556036 | 0.84 | GRIN2B (0.36) | — | |
| SCHEMBL2818160 | 0.80 | HSD11B1 (0.40) | — | |
| SCHEMBL3546569 | 0.80 | HSD11B1 (0.40) | — | |
| SCHEMBL28638548 | 0.78 | STS (0.43) | — | |
| SCHEMBL995296 | 0.78 | NPC1 (0.40) | — | |
| SCHEMBL995503 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL995297 | 0.78 | NPC1 (0.40) | — | |
| SCHEMBL995504 | 0.78 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7732610-B2 | Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents | AVENTIS PHARMA S.A. (FR) | 2010-06-08 | — | — | US | disclosed |
| US-7638529-B2 | anti-bacterial agents; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen | AVENTIS PHARMA S.A. (FR) | 2009-12-29 | — | — | US | disclosed |
| US-20060189652-A1 | New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents | AVENTIS PHARMA S.A. | 2006-08-24 | — | — | US | disclosed |
| US-20060046995-A1 | Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents | AVENTIS PHARMA S.A. | 2006-03-02 | — | — | US | disclosed |