⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15049595 | 0.82 | CCR1 (0.31) | — | |
| SCHEMBL1052153 | 0.71 | IRAK4 (0.36) | — | |
| SCHEMBL998005 | 0.68 | GRM5 (0.43) | — | |
| SCHEMBL3706155 | 0.63 | GRM4 (0.42) | — | |
| SCHEMBL998153 | 0.63 | MEN1 (0.32) | — | |
| SCHEMBL14082025 | 0.62 | CCR1 (0.52) | — | |
| Amelenodor SCHEMBL22061849 | 0.57 | CCR1 (0.44) | — | |
| SCHEMBL16158905 | 0.56 | IRAK4 (0.45) | — | |
| SCHEMBL4359483 | 0.55 | MEN1 (0.54) | — | |
| SCHEMBL30072804 | 0.55 | MEN1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2456769-B1 | NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2013-06-26 | — | — | EP | disclosed |