⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28736456 | 0.72 | ENPP2 (0.34) | — | |
| SCHEMBL29636078 | 0.72 | ENPP2 (0.34) | — | |
| SCHEMBL13554249 | 0.69 | ENPP2 (0.31) | — | |
| SCHEMBL22471 | 0.68 | ENPP2 (0.47) | — | |
| SCHEMBL29427154 | 0.68 | ENPP2 (0.47) | — | |
| SCHEMBL2850890 | 0.64 | HTT (0.45) | — | |
| SCHEMBL9258 | 0.64 | KCNQ3 (0.39) | — | |
| SCHEMBL14217725 | 0.63 | REN (0.38) | — | |
| SCHEMBL31437950 | 0.62 | MGLL (0.39) | — | |
| SCHEMBL1496432 | 0.62 | MGLL (0.39) | — |
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-7485640-B2 | Imidazopyrazinones as GABA-A receptor anxiolytics | MERCK SHARP & DOHME LIMITED (GB) | 2009-02-03 | — | — | US | disclosed |
| US-20060014744-A1 | Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic | MERCK SHARP & DOHME LTD. (GB) | 2006-01-19 | — | — | US | disclosed |
| WO-2004041826-A1 | IMIDAZOPYRAZINONES AND IMIDAZOTRIAZINONES DERIVATES AS GABA-A RECEPTOR ANXIOLYTIC | MERCK SHARP & DOHME LIMITED (GB) | 2004-05-21 | — | — | WO | disclosed |