⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4406506 | 0.69 | — | — | |
| SCHEMBL19153993 | 0.69 | — | — | |
| SCHEMBL26817054 | 0.68 | GAA (0.37) | — | |
| SCHEMBL13216898 | 0.68 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL23164949 | 0.67 | — | — | |
| SCHEMBL31378690 | 0.67 | — | — | |
| SCHEMBL18088 | 0.67 | RORC (0.33) | — | |
| SCHEMBL24759785 | 0.65 | AR (0.36) | — | |
| SCHEMBL21479565 | 0.65 | PKM (0.31) | — | |
| SCHEMBL21479564 | 0.65 | RORC (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1202159-A | Pyrazin-2-one derivatives, their use, and intermediates for their production | SUMITOMO CHEMICAL CO (JP) | 1998-12-16 | — | — | CN | disclosed |
| EP-0859765-A1 | PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997011060-A1 | PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-03-27 | — | — | WO | disclosed |