⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20225338 | 0.76 | — | — | |
| SCHEMBL16090083 | 0.76 | — | — | |
| SCHEMBL22100275 | 0.67 | — | — | |
| SCHEMBL24648561 | 0.67 | — | — | |
| SCHEMBL18745813 | 0.62 | — | — | |
| SCHEMBL23714912 | 0.62 | — | — | |
| SCHEMBL22827848 | 0.62 | — | — | |
| SCHEMBL24337728 | 0.62 | — | — | |
| SCHEMBL18833406 | 0.62 | — | — | |
| SCHEMBL21031215 | 0.60 | TDP1 (0.32) | — |
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-3004107-B1 | 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-05-10 | — | — | EP | disclosed |