⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12118266 | 0.88 | — | — | |
| SCHEMBL10431003 | 0.87 | — | — | |
| SCHEMBL5475359 | 0.85 | — | — | |
| SCHEMBL5475367 | 0.85 | — | — | |
| SCHEMBL12118298 | 0.81 | TRPA1 (0.37) | — | |
| SCHEMBL29039605 | 0.81 | TRPA1 (0.37) | — | |
| SCHEMBL25266516 | 0.79 | — | — | |
| SCHEMBL2322658 | 0.78 | — | — | |
| SCHEMBL5710801 | 0.78 | — | — | |
| SCHEMBL12118274 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1716130-A1 | ACETYLINIC PIPERAZINE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2006-11-02 | — | — | EP | disclosed |
| US-20060235024-A1 | Acetylinic piperazine compounds and their use as metabotropic glutamate receptor antagonists | ASTRAZENECA AB | 2006-10-19 | — | — | US | disclosed |
| WO-2005080363-A1 | ACETYLINIC PIPERAZINE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2005-09-01 | — | — | WO | disclosed |