⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17883180 | 0.84 | PGR (0.33) | — | |
| SCHEMBL21074156 | 0.84 | CHEK1 (0.38) | — | |
| SCHEMBL21074220 | 0.79 | PGR (0.38) | — | |
| SCHEMBL29437698 | 0.79 | PGR (0.38) | — | |
| SCHEMBL29116525 | 0.72 | PGR (0.36) | — | |
| SCHEMBL23837148 | 0.70 | — | — | |
| SCHEMBL21074140 | 0.70 | USP8 (0.37) | — | |
| SCHEMBL22693762 | 0.69 | PGR (0.38) | — | |
| SCHEMBL21074089 | 0.69 | CHEK1 (0.44) | — | |
| SCHEMBL20496059 | 0.69 | MAPT (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190169170-A1 | DICYANOPYRAZINE COMPOUND, LUMINESCENT MATERIAL, LUMINESCENCE DEVICE USING THE SAME, AND METHOD FOR PRODUCING 2,5-DICYANO-3,6-DIHALOGENOPYRAZINE | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2019-06-06 | — | — | US | disclosed |