⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7656354 | 0.80 | PNP (0.36) | — | |
| SCHEMBL7109379 | 0.75 | — | — | |
| SCHEMBL7650781 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL7663487 | 0.71 | PNP (0.34) | — | |
| SCHEMBL7656330 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL7661306 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL7661155 | 0.67 | CHRNB2 (0.38) | — | |
| SCHEMBL7651975 | 0.67 | PNP (0.41) | — | |
| SCHEMBL2728918 | 0.66 | CYP2A6 (0.47) | — | |
| SCHEMBL7662648 | 0.65 | HSD17B10 (0.41) | — |
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 |