⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17612 | 0.97 | — | — | |
| SCHEMBL29741271 | 0.97 | — | — | |
| SCHEMBL198094 | 0.69 | — | — | |
| SCHEMBL31243289 | 0.69 | — | — | |
| SCHEMBL4390590 | 0.69 | CCR1 (0.46) | — | |
| SCHEMBL29538085 | 0.69 | — | — | |
| SCHEMBL17800 | 0.69 | — | — | |
| SCHEMBL1662273 | 0.69 | PIK3CD (0.73) | — | |
| SCHEMBL18429718 | 0.68 | APP (0.64) | — | |
| Ammonia Solution, Strong SCHEMBL14636438 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104105696-B | The nitrile compound of 5 (the base amino of pyridine 2) pyrazine 2 and its therapeutical uses | 癌症研究技术有限公司 | 2017-11-14 | — | — | CN | disclosed |