⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6036190 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL15168859 | 0.81 | — | — | |
| SCHEMBL17644605 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL8075807 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL9305102 | 0.74 | KEAP1 (0.32) | — | |
| SCHEMBL5772420 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL1993973 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL13505903 | 0.72 | GPR35 (0.35) | — | |
| SCHEMBL1028769 | 0.69 | — | — | |
| Hexane SCHEMBL27953123 | 0.69 | ALDH1A1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2288612-B1 | GABAA RECEPTOR MODULATORS | GABATHER AB (SE) | 2015-07-29 | — | — | EP | disclosed |
| US-8809355-B2 | GABAA receptor modulators | INNOVATIONSPATENT SVERIGE AB (SE) | 2014-08-19 | — | — | US | disclosed |
| US-20110092525-A1 | GABAA RECEPTOR MODULATORS | GABATHER AB (SE) | 2011-04-21 | — | — | US | disclosed |
| EP-2288612-A1 | GABAA RECEPTOR MODULATORS | Forskarpatent i Syd AB (SE) | 2011-03-02 | — | — | EP | disclosed |
| WO-2009123537-A1 | GABAa RECEPTOR MODULATORS | FORSKARPATENT I SYD AB (SE) | 2009-10-08 | — | — | WO | disclosed |