⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2499734 | 0.80 | — | — | |
| SCHEMBL31611874 | 0.77 | — | — | |
| SCHEMBL30979820 | 0.73 | — | — | |
| SCHEMBL6582970 | 0.71 | — | — | |
| SCHEMBL5456313 | 0.71 | — | — | |
| SCHEMBL2032254 | 0.69 | — | — | |
| SCHEMBL28328358 | 0.67 | — | — | |
| SCHEMBL29435680 | 0.66 | — | — | |
| SCHEMBL935796 | 0.66 | — | — | |
| SCHEMBL3275906 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1982307-A | Process for synthesizing chiral N-aryl piperazines | WYETH CORP (US) | 2007-06-20 | — | — | CN | disclosed |
| CN-1304388-C | Method for synthesizing chiral N-aryl piperazine | WYETH CORP (US) | 2007-03-14 | — | — | CN | disclosed |
| CN-1642936-A | Method for synthesizing chiral N-aryl piperazine | WYETH CORP (US) | 2005-07-20 | — | — | CN | disclosed |
| US-20040230056-A1 | Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution | WYETH | 2004-11-18 | — | — | US | disclosed |
| US-20030187265-A1 | Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution | WYETH | 2003-10-02 | — | — | US | disclosed |