⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4963397 | 0.73 | — | — | |
| SCHEMBL9909824 | 0.72 | — | — | |
| SCHEMBL4874910 | 0.72 | — | — | |
| SCHEMBL18540922 | 0.72 | — | — | |
| SCHEMBL7551800 | 0.72 | — | — | |
| SCHEMBL24050951 | 0.72 | — | — | |
| SCHEMBL7715428 | 0.72 | — | — | |
| SCHEMBL8010134 | 0.72 | — | — | |
| SCHEMBL21779644 | 0.72 | — | — | |
| SCHEMBL38665100 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7550629-B2 | 4-chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]benzenesulfonamide; 4-cyano-N-(3,3,3-trifluoro-1-hydroxymethyl-2-trifluoromethyl-propyl)-benzenesulfonamide; Alzheimer's Disease, amyloid angiopathy, systemic amyloidosis, mild cognitive impairment and Down's syndrome | WYETH (US) | 2009-06-23 | — | — | US | disclosed |
| US-20070249722-A1 | Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors | WYETH (US) | 2007-10-25 | — | — | US | disclosed |