⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7663915 | 0.85 | CYP1A2 (0.36) | — | |
| SCHEMBL7663615 | 0.84 | SIRT6 (0.30) | — | |
| SCHEMBL7654556 | 0.82 | KMT2A (0.35) | — | |
| SCHEMBL7663607 | 0.81 | — | — | |
| SCHEMBL7108649 | 0.79 | TSPO (0.30) | — | |
| SCHEMBL7109867 | 0.78 | PDE10A (0.36) | — | |
| SCHEMBL7654022 | 0.77 | P4HTM (0.35) | — | |
| SCHEMBL7654086 | 0.77 | PNP (0.32) | — | |
| SCHEMBL7107198 | 0.74 | — | — | |
| SCHEMBL7110077 | 0.72 | PNP (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6399613-B1 | N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES | AVENTIS PHARMA S.A. (FR) | 2002-06-04 | — | — | US | claimed |
| US-6399613-B1 | N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES | AVENTIS PHARMA S.A. (FR) | 2002-06-04 | — | — | US | disclosed |