⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4247928 | 0.74 | — | — | |
| SCHEMBL338590 | 0.65 | TRPA1 (0.32) | — | |
| SCHEMBL983719 | 0.64 | — | — | |
| SCHEMBL11249482 | 0.61 | — | — | |
| SCHEMBL16671221 | 0.61 | — | — | |
| SCHEMBL7265497 | 0.60 | HMGCR (0.33) | — | |
| SCHEMBL11234560 | 0.60 | — | — | |
| SCHEMBL7777200 | 0.59 | TRPA1 (0.35) | — | |
| SCHEMBL28289 | 0.59 | TSHR (0.50) | — | |
| SCHEMBL4158266 | 0.59 | TRPA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0745598-B1 | Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2001-08-22 | — | — | EP | disclosed |
| US-5753662-A | TREATING DOPAMINERGIC SYSTEM DISORDERS | ADIR ET COMPAGNIE (FR) | 1998-05-19 | — | — | US | disclosed |
| US-5684020-A | ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM | ADIR ET COMPAGNIE (FR) | 1997-11-04 | — | — | US | disclosed |
| EP-0745598-A1 | Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1996-12-04 | — | — | EP | disclosed |
| EP-0599697-A1 | Pyrrole derivatives, their preparation and application in therapy | SYNTHELABO (FR) | 1994-06-01 | — | — | EP | disclosed |