⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12441619 | 0.80 | — | — | |
| SCHEMBL14724804 | 0.75 | — | — | |
| SCHEMBL21184293 | 0.71 | — | — | |
| SCHEMBL20161822 | 0.69 | — | — | |
| SCHEMBL16628300 | 0.69 | — | — | |
| SCHEMBL14394118 | 0.69 | — | — | |
| SCHEMBL22056768 | 0.68 | — | — | |
| SCHEMBL16306437 | 0.66 | — | — | |
| SCHEMBL13370450 | 0.64 | — | — | |
| SCHEMBL14395431 | 0.63 | CA12 (0.34) | — |
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-1994004-B9 | 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | JANSSEN PHARMACEUTICALS INC (US) | 2013-04-17 | — | — | EP | disclosed |