⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4334582 | 0.74 | KCNH2 (0.40) | — | |
| SCHEMBL4328972 | 0.68 | KCNH2 (0.43) | — | |
| SCHEMBL4319927 | 0.68 | LMNA (0.43) | — | |
| SCHEMBL4327601 | 0.66 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL4319823 | 0.65 | PPARG (0.35) | — | |
| SCHEMBL4332386 | 0.65 | SMO (0.54) | — | |
| SCHEMBL4327598 | 0.64 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL4330278 | 0.64 | CHRM4 (0.41) | — | |
| SCHEMBL4334396 | 0.62 | MAPT (0.41) | — | |
| SCHEMBL4324247 | 0.62 | SMN1; SMN2 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |