⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL385474 | 0.68 | — | — | |
| SCHEMBL3407426 | 0.62 | — | — | |
| SCHEMBL11592551 | 0.60 | — | — | |
| SCHEMBL9811111 | 0.59 | — | — | |
| SCHEMBL4104342 | 0.59 | — | — | |
| SCHEMBL8344814 | 0.59 | — | — | |
| SCHEMBL385149 | 0.58 | — | — | |
| SCHEMBL2545172 | 0.58 | — | — | |
| SCHEMBL6438991 | 0.57 | — | — | |
| SCHEMBL28287810 | 0.57 | — | — |
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-1833800-A1 | PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | AstraZeneca AB (SE) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006071730-A1 | PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | ASTRAZENECA AB (SE) | 2006-07-06 | — | — | WO | disclosed |