⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL9769731 | 0.95 | — | — | |
| SCHEMBL9447629 | 0.95 | — | — | |
| SCHEMBL432381 | 0.94 | — | — | |
| SCHEMBL3301102 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL9137185 | 0.89 | — | — | |
| SCHEMBL29286248 | 0.89 | — | — | |
| SCHEMBL27673197 | 0.89 | — | — | |
| SCHEMBL2017870 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL9349143 | 0.84 | — | — | |
| SCHEMBL31089877 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104447882-B | The synthetic method of high-purity bipyridyl ruthenium complex compound | 上海硅酸盐研究所中试基地 | 2018-09-28 | — | — | CN | disclosed |
| CN-103458886-B | Pyriconyl guanidine F1F0-atpase inhibitor and therapeutical uses thereof | 莱斯拉公司 | 2016-06-08 | — | — | CN | disclosed |