⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4706417 | 1.00 | — | — | |
| SCHEMBL273280 | 0.79 | — | — | |
| SCHEMBL15604555 | 0.79 | NOS2 (0.36) | — | |
| SCHEMBL8618062 | 0.79 | L3MBTL1 (0.31) | — | |
| SCHEMBL9674036 | 0.79 | NOS2 (0.36) | — | |
| SCHEMBL24271678 | 0.75 | — | — | |
| SCHEMBL1499862 | 0.75 | — | — | |
| SCHEMBL20494818 | 0.75 | — | — | |
| SCHEMBL12280628 | 0.75 | — | — | |
| SCHEMBL5301045 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017144909-A1 | METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION | GESYNTA PHARMA AB (SE) | 2017-08-31 | — | — | WO | disclosed |
| EP-2035394-A1 | 2-PYRAZINECARBOXAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007147746-A1 | 2-PYRAZINECARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-27 | — | — | WO | disclosed |