⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26838 | 0.92 | — | — | |
| Nitric Acid SCHEMBL12100945 | 0.89 | CA5A (0.57) | — | |
| SCHEMBL9190302 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL1759408 | 0.88 | — | — | |
| Iodide SCHEMBL30927160 | 0.88 | — | — | |
| SCHEMBL3312808 | 0.88 | — | — | |
| SCHEMBL6130418 | 0.88 | — | — | |
| Zinc Ion SCHEMBL3955722 | 0.88 | — | — | |
| SCHEMBL21680168 | 0.88 | — | — | |
| Bromide SCHEMBL7292690 | 0.88 | — | — |
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-104229831-B | A kind of technique of synthesis gas system synthesis ammonia co-production ethylene glycol | 中国五环工程有限公司 | 2016-10-05 | — | — | CN | disclosed |