⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21074085 | 0.84 | HPGD (0.40) | — | |
| SCHEMBL21074203 | 0.80 | HPGD (0.40) | — | |
| SCHEMBL24830082 | 0.77 | HDAC6 (0.32) | — | |
| SCHEMBL21074089 | 0.72 | CHEK1 (0.44) | — | |
| SCHEMBL23837142 | 0.71 | — | — | |
| SCHEMBL13540458 | 0.70 | ESR1 (0.31) | — | |
| SCHEMBL13540555 | 0.68 | — | — | |
| SCHEMBL26413984 | 0.68 | ADORA1 (0.50) | — | |
| SCHEMBL21074108 | 0.68 | HDAC6 (0.43) | — | |
| SCHEMBL21074098 | 0.68 | CHEK1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3882243-B1 | DICYANOPYRAZINE COMPOUND, LUMINESCENT MATERIAL AND LIGHT TRANSMITTER USING SAME | UNIV KYUSHU NAT UNIV CORP (JP) | 2023-01-04 | — | — | EP | disclosed |
| EP-3882236-A1 | PRODUCTION METHOD FOR 2,5-DICYANO-3,6-DIHALOGENOPYRAZINE | Kyushu University National University Corporation (JP) | 2021-09-22 | — | — | EP | disclosed |