⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1528250 | 0.80 | — | — | |
| SCHEMBL17768600 | 0.79 | BPTF (0.31) | — | |
| SCHEMBL22095500 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL21212490 | 0.69 | — | — | |
| SCHEMBL22847806 | 0.68 | — | — | |
| SCHEMBL17768671 | 0.68 | PIK3CD (0.32) | — | |
| SCHEMBL11836639 | 0.67 | — | — | |
| SCHEMBL23133160 | 0.67 | PIK3CA (0.32) | — | |
| SCHEMBL12410994 | 0.65 | MAP3K12 (0.31) | — | |
| SCHEMBL1485108 | 0.64 | MAP3K7 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1451161-B1 | IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME (GB) | 2007-04-18 | — | — | EP | disclosed |
| US-20060040940-A1 | Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands | BETTATI MICHELA | 2006-02-23 | — | — | US | disclosed |
| EP-1451161-A1 | IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS | Merck Sharp & Dohme Limited (GB) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003048132-A1 | IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2003-06-12 | — | — | WO | disclosed |