⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28980646 | 0.67 | — | — | |
| SCHEMBL28779041 | 0.64 | MAOA (0.31) | — | |
| SCHEMBL16927553 | 0.62 | — | — | |
| SCHEMBL3885051 | 0.61 | — | — | |
| SCHEMBL3883020 | 0.61 | — | — | |
| SCHEMBL4553323 | 0.60 | — | — | |
| SCHEMBL13740193 | 0.59 | — | — | |
| SCHEMBL6889340 | 0.59 | — | — | |
| SCHEMBL28871737 | 0.59 | — | — | |
| SCHEMBL30530546 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112480124-A | Trifluoromethyl substituted chiral tetrahydropyrrole [1,2-c ] quinazoline-3, 5-diketone and preparation method thereof | 成都大学 | 2021-03-12 | — | — | CN | claimed |
| EP-2288612-B1 | GABAA RECEPTOR MODULATORS | GABATHER AB (SE) | 2015-07-29 | — | — | EP | claimed |
| EP-2288612-A1 | GABAA RECEPTOR MODULATORS | Forskarpatent i Syd AB (SE) | 2011-03-02 | — | — | EP | claimed |
| WO-2009123537-A1 | GABAa RECEPTOR MODULATORS | FORSKARPATENT I SYD AB (SE) | 2009-10-08 | — | — | WO | claimed |
| EP-0760819-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | claimed |
| WO-1995032205-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1995-11-30 | — | — | WO | claimed |
| EP-2288612-B1 | GABAA RECEPTOR MODULATORS | GABATHER AB (SE) | 2015-07-29 | — | — | EP | disclosed |