⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6605683 | 0.71 | — | — | |
| SCHEMBL11144350 | 0.69 | KDM5B (0.30) | — | |
| SCHEMBL5838433 | 0.69 | — | — | |
| SCHEMBL218006 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL5159463 | 0.65 | — | — | |
| SCHEMBL7058771 | 0.65 | — | — | |
| SCHEMBL279830 | 0.63 | — | — | |
| SCHEMBL219812 | 0.63 | — | — | |
| SCHEMBL28129482 | 0.61 | KDM4E (0.37) | — | |
| Water SCHEMBL10523962 | 0.61 | ALDH1A1 (0.37) | — |
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 6 patents. 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 |
| 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 |
| US-8501946-B2 | 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators | GLAXO GROUP LIMITED (GB) | 2013-08-06 | — | — | US | disclosed |
| US-20120157436-A1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LIMITED (GB) | 2012-06-21 | — | — | US | disclosed |
| WO-2010125102-A1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010125102-A1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | WO | disclosed |