⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9175923 | 0.89 | — | — | |
| SCHEMBL9179810 | 0.87 | DRD2 (0.55) | — | |
| SCHEMBL9176539 | 0.87 | — | — | |
| SCHEMBL9182190 | 0.83 | HTR1A (0.60) | — | |
| SCHEMBL9466855 | 0.81 | HTR1A (0.45) | — | |
| SCHEMBL9466380 | 0.81 | HTR2C (0.37) | — | |
| SCHEMBL9174152 | 0.81 | HTR2C (0.37) | — | |
| SCHEMBL9174181 | 0.78 | — | — | |
| SCHEMBL9178728 | 0.76 | GAA (0.48) | — | |
| SCHEMBL7126207 | 0.75 | DRD2 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0490772-B1 | 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them | ADIR (FR) | 1995-07-26 | — | — | EP | disclosed |
| EP-0490772-A1 | 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1992-06-17 | — | — | EP | disclosed |