⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL28179604 | 0.87 | ALDH1A1 (0.36) | — | |
| Ethylene SCHEMBL28188230 | 0.87 | — | — | |
| Water SCHEMBL9879556 | 0.87 | ALDH1A1 (0.42) | — | |
| SCHEMBL20767 | 0.87 | — | — | |
| SCHEMBL1673094 | 0.87 | — | — | |
| Water SCHEMBL30060781 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL995681 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL9393760 | 0.82 | — | — | |
| Cyanide SCHEMBL27691015 | 0.78 | — | — | |
| Phosphonic Acid SCHEMBL10391010 | 0.77 | MCL1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794346-A | The industrial production process of hydroxyacetonitrile | 抚顺顺特化工有限公司 | 2018-11-13 | — | — | CN | claimed |
| CN-108794346-A | The industrial production process of hydroxyacetonitrile | 抚顺顺特化工有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-104628598-B | Device for industrially producing hydroxyl acetonitrile | 重庆紫光化工股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-102016018-B | Improvement in immobilized microbial nitrilase for production of glycolic acid | DU PONT | 2013-09-25 | — | — | CN | disclosed |
| US-20110288332-A1 | AMINOCARBOXYLATE POWDERS WITH IMPROVED PURITY AND FLOWABILITY PROPERTIES | DOW GLOBAL TECHNOLOGIES LLC | 2011-11-24 | — | — | US | disclosed |
| WO-2011146582-A2 | AMINOCARBOXYLATE POWDERS WITH IMPROVED PURITY AND FLOW ABILITY PROPERTIES | DOW GLOBAL TECHNOLOGIES LLC. (US) | 2011-11-24 | — | — | WO | disclosed |
| CN-101965399-A | Improvements in immobilized microbial nitrilases for the production of glycolic acid | DU PONT | 2011-02-02 | — | — | CN | disclosed |