⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2872059 | 0.82 | GSK3B (0.67) | — | |
| SCHEMBL129127 | 0.78 | — | — | |
| SCHEMBL14495742 | 0.76 | GSK3B (0.55) | — | |
| SCHEMBL2072953 | 0.76 | NPSR1 (0.56) | — | |
| SCHEMBL1356959 | 0.75 | LMNA (0.70) | — | |
| SCHEMBL8575623 | 0.73 | LMNA (0.68) | — | |
| SCHEMBL3351 | 0.73 | — | — | |
| SCHEMBL593258 | 0.73 | DAO (0.60) | — | |
| SCHEMBL20239452 | 0.73 | — | — | |
| SCHEMBL12569052 | 0.73 | LMNA (0.68) | — |
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-7488832-B2 | e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome | WYETH (US) | 2009-02-10 | — | — | US | disclosed |
| US-20080287424-A1 | AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS | WYETH (US) | 2008-11-20 | — | — | US | disclosed |
| US-20060183790-A1 | Azolylacylguanidines as beta-secretase inhibitors | WYETH (US) | 2006-08-17 | — | — | US | disclosed |