⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5830706 | 1.00 | — | — | |
| SCHEMBL2632683 | 0.88 | CHRM1 (0.51) | — | |
| SCHEMBL2632445 | 0.88 | CHRM1 (0.51) | — | |
| SCHEMBL92495 | 0.88 | CHRNB2 (0.42) | — | |
| SCHEMBL10049922 | 0.88 | CHRM1 (0.51) | — | |
| SCHEMBL3008190 | 0.88 | CHRNB2 (0.42) | — | |
| SCHEMBL2149346 | 0.86 | SLC6A2 (0.36) | — | |
| SCHEMBL14924890 | 0.86 | CHRM1 (0.47) | — | |
| SCHEMBL25501634 | 0.86 | CHRM1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL1223342 | 0.84 | GNAO1 (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10030019-B2 | Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors | FEDORA PHARMACEUTICALS INC. (CA) | 2018-07-24 | — | — | US | disclosed |
| US-9393239-B2 | Bicyclic compounds and their use as antibacterial agents and betalactamase inhibitors | FEDORA PHARMACEUTICALS INC. (CA) | 2016-07-19 | — | — | US | disclosed |
| US-20150368244-A1 | DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. (US) | 2015-12-24 | — | — | US | disclosed |
| CN-105037382-A | Bergenin derivatives, and preparation method and application thereof | UNIV CHINA PHARMA | 2015-11-11 | — | — | CN | disclosed |
| US-20140221341-A1 | BICYCLIC COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS AND BETALACTAMASE INHIBITORS | NAEJA PHARMACEUTICAL INC. (CA) | 2014-08-07 | — | — | US | disclosed |
| US-7671072-B2 | Aminopyrazole derivatives as GSK-3 inhibitors | PFIZER INC. (US) | 2010-03-02 | — | — | US | disclosed |
| US-20070276010-A1 | Aminopyrazole Derivatives as Gsk-3 Inhibitors | BENBOW JOHN W | 2007-11-29 | — | — | US | disclosed |