⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7107198 | 0.84 | — | — | |
| SCHEMBL7104663 | 0.83 | CNR1 (0.32) | — | |
| SCHEMBL7651870 | 0.82 | TDP1 (0.41) | — | |
| SCHEMBL7109261 | 0.81 | MLYCD (0.31) | — | |
| SCHEMBL7658552 | 0.79 | CASP3 (0.34) | — | |
| SCHEMBL7103529 | 0.76 | L3MBTL1 (0.42) | — | |
| SCHEMBL7103619 | 0.74 | — | — | |
| SCHEMBL7658682 | 0.73 | MLYCD (0.43) | — | |
| SCHEMBL7108649 | 0.71 | TSPO (0.30) | — | |
| SCHEMBL7104690 | 0.70 | CNR1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001944-B1 | PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | AVENTIS PHARMA SA (FR) | 2003-10-01 | — | — | EP | 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 | 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 |