⚠ 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 SCHEMBL28975722 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL29012784 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL28262683 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL8733016 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL10785455 | 0.76 | — | — | |
| SCHEMBL29057764 | 0.68 | — | — | |
| SCHEMBL28626809 | 0.68 | — | — | |
| SCHEMBL30528656 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL28687496 | 0.68 | — | — | |
| SCHEMBL7743207 | 0.68 | — | — |
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-113588753-A | Ion selective electrode current detection method | 中国科学院烟台海岸带研究所 | 2021-11-02 | — | — | CN | claimed |
| CN-113588753-A | Ion selective electrode current detection method | 中国科学院烟台海岸带研究所 | 2021-11-02 | — | — | CN | disclosed |