⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5394341 | 0.73 | — | — | |
| SCHEMBL10306783 | 0.72 | — | — | |
| SCHEMBL3176486 | 0.70 | — | — | |
| SCHEMBL2277536 | 0.67 | — | — | |
| SCHEMBL1965437 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL21581979 | 0.67 | — | — | |
| SCHEMBL21581978 | 0.67 | — | — | |
| SCHEMBL562149 | 0.67 | — | — | |
| SCHEMBL562148 | 0.67 | — | — | |
| SCHEMBL19596798 | 0.67 | — | — |
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-7319099-B2 | Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-20050209241-A1 | Benzoyl-piperazine derivatives | HOFFMANN-LA ROCHE INC. | 2005-09-22 | — | — | US | disclosed |