⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4947107 | 1.00 | — | — | |
| SCHEMBL5484814 | 1.00 | — | — | |
| SCHEMBL4946594 | 0.90 | ALDH1A1 (0.34) | — | |
| SCHEMBL23878064 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL23878062 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL4664823 | 0.71 | POLB (0.34) | — | |
| SCHEMBL4878901 | 0.71 | POLB (0.34) | — | |
| SCHEMBL4760346 | 0.71 | — | — | |
| SCHEMBL5488258 | 0.70 | HPGD (0.49) | — | |
| SCHEMBL5488264 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080312240-A1 | Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists | ASTRAZENECA AB (SE) | 2008-12-18 | — | — | US | disclosed |
| US-20080194571-A1 | Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists | ASTRAZENECA AB (SE) | 2008-08-14 | — | — | US | disclosed |
| EP-1919915-A2 | ACETYLENIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2008-05-14 | — | — | EP | disclosed |
| EP-1919911-A1 | BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007021574-A1 | BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2007-02-22 | — | — | WO | disclosed |
| WO-2007021575-A2 | ACETYLENIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2007-02-22 | — | — | WO | disclosed |
| US-20070037816-A1 | Bicyclic piperazines as metabotropic glutatmate receptor antagonists | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | US | disclosed |
| US-20070037817-A1 | Acetylenic piperazines as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | US | disclosed |