⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19593058 | 0.69 | — | — | |
| Glycine SCHEMBL3706934 | 0.68 | GLRA1 (0.48) | — | |
| SCHEMBL21650693 | 0.67 | — | — | |
| SCHEMBL24642397 | 0.65 | — | — | |
| SCHEMBL8163798 | 0.64 | — | — | |
| SCHEMBL13858299 | 0.63 | — | — | |
| SCHEMBL12993014 | 0.62 | — | — | |
| SCHEMBL13350919 | 0.62 | — | — | |
| SCHEMBL22488147 | 0.62 | — | — | |
| SCHEMBL8166951 | 0.61 | — | — |
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-2424869-B1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LTD (GB) | 2016-06-22 | — | — | EP | disclosed |