⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2465034 | 0.75 | — | — | |
| SCHEMBL4989824 | 0.72 | L3MBTL1 (0.39) | — | |
| SCHEMBL1526466 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL7996641 | 0.70 | — | — | |
| SCHEMBL4995939 | 0.69 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL4630617 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL4724331 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL4984434 | 0.67 | HTT (0.35) | — | |
| SCHEMBL4765669 | 0.66 | HCAR3 (0.33) | — | |
| SCHEMBL672185 | 0.65 | — | — |
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-0820993-B1 | Process for the production of pyrazin-2-amines | LONZA AG (CH) | 2003-01-29 | — | — | EP | claimed |