⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15121173 | 0.73 | CNR2 (0.32) | — | |
| SCHEMBL15120360 | 0.70 | CNR2 (0.30) | — | |
| SCHEMBL2051129 | 0.69 | — | — | |
| SCHEMBL2764041 | 0.67 | — | — | |
| SCHEMBL12413737 | 0.67 | EPHX2 (0.30) | — | |
| SCHEMBL10098826 | 0.66 | CNR2 (0.33) | — | |
| SCHEMBL776823 | 0.65 | — | — | |
| SCHEMBL6890471 | 0.63 | LIPE (0.34) | — | |
| SCHEMBL25409479 | 0.63 | — | — | |
| SCHEMBL6893525 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7605163-B2 | Benzoyl-piperazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-10-20 | — | — | US | disclosed |
| US-20080119486-A1 | BENZOYL-PIPERAZINE DERIVATIVES | JOLIDON SYNESE | 2008-05-22 | — | — | US | disclosed |
| 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 |