⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9688931 | 0.80 | CA2 (0.37) | — | |
| SCHEMBL9687584 | 0.80 | CD44 (0.35) | — | |
| SCHEMBL9027471 | 0.78 | TYR (0.43) | — | |
| SCHEMBL9687937 | 0.74 | CASP1 (0.34) | — | |
| SCHEMBL4884783 | 0.71 | SLC6A4 (0.40) | — | |
| SCHEMBL1000855 | 0.68 | NPSR1 (0.44) | — | |
| SCHEMBL4423913 | 0.67 | TYR (0.48) | — | |
| SCHEMBL8848222 | 0.66 | AOC1 (0.39) | — | |
| SCHEMBL28320527 | 0.65 | TYR (0.46) | — | |
| SCHEMBL2421197 | 0.65 | TYR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0511879-A1 | Pyrazine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-04 | — | — | EP | disclosed |