⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3094571 | 0.73 | HDAC8 (0.34) | — | |
| SCHEMBL5844383 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL5865099 | 0.65 | GABRA1 (0.38) | — | |
| SCHEMBL898962 | 0.65 | TSHR (0.52) | — | |
| SCHEMBL2089464 | 0.64 | CYP3A4 (0.32) | — | |
| Bromide SCHEMBL29281367 | 0.61 | CYP3A4 (0.30) | — | |
| SCHEMBL811745 | 0.61 | IDO1 (0.44) | — | |
| SCHEMBL1437868 | 0.61 | PTGS2 (0.39) | — | |
| SCHEMBL19433235 | 0.60 | NMT1 (0.36) | — | |
| SCHEMBL17873619 | 0.60 | GABRA1 (0.55) | — |
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-20080176862-A1 | Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors | ASTRAZENECA AB (SE) | 2008-07-24 | — | — | US | disclosed |
| US-20080176862-A1 | Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors | ASTRAZENECA AB (SE) | 2008-07-24 | — | — | US | disclosed |
| WO-2008076046-A1 | NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | WO | disclosed |