⚠ 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 SCHEMBL25252220 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL27833723 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL27804416 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28164714 | 0.87 | — | — | |
| SCHEMBL971079 | 0.87 | — | — | |
| SCHEMBL11816466 | 0.75 | — | — | |
| SCHEMBL7104245 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL23922936 | 0.75 | — | — | |
| SCHEMBL20656664 | 0.75 | — | — | |
| SCHEMBL21328566 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114525534-A | Active electrolytic water electrode and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2022-05-24 | — | — | CN | claimed |