⚠ 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL262902 | 0.97 | TSHR (0.60) | — | |
| Dioxane SCHEMBL28097100 | 0.97 | TSHR (0.60) | — | |
| Pyridine SCHEMBL27708567 | 0.91 | TSHR (0.53) | — | |
| Pyridine SCHEMBL27864129 | 0.86 | TSHR (0.64) | — | |
| Pyridine SCHEMBL27864132 | 0.86 | TSHR (0.64) | — | |
| Pyridine SCHEMBL97170 | 0.84 | — | — | |
| Pyridine SCHEMBL9514761 | 0.84 | TSHR (0.90) | — | |
| Pyridine SCHEMBL29109706 | 0.84 | — | — | |
| Pyridine SCHEMBL9514765 | 0.84 | — | — | |
| Pyridine SCHEMBL28721156 | 0.84 | TSHR (0.90) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992017450-A1 | BIS-METHYLENE ETHER PYRIDINIUM COMPOUND PREPARATION | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1992-10-15 | — | — | WO | claimed |
| CN-109164096-A | The portable measuring method for measuring of trace arsenic in atmosphere | 天津市光复科技发展有限公司 | 2019-01-08 | — | — | CN | disclosed |
| CN-109107397-A | The enrichment new material of trace arsenic in surrounding air | 天津市光复科技发展有限公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-1174103-C | Process for preparing chiral substituted arylepoxyethane compounds and its biol by selective splitting of Aspergillus niger | 中国科学院上海有机化学研究所 | 2004-11-03 | — | — | CN | disclosed |
| CN-1369565-A | Process for preparing chiral substituted arylepoxyethane compounds and its biol by selective splitting of Aspergillus niger | SHANGHAI INST ORGANIC CHEM (CN) | 2002-09-18 | — | — | CN | disclosed |
| WO-1992017450-A1 | BIS-METHYLENE ETHER PYRIDINIUM COMPOUND PREPARATION | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1992-10-15 | — | — | WO | disclosed |
| WO-1992017450-A1 | BIS-METHYLENE ETHER PYRIDINIUM COMPOUND PREPARATION | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1992-10-15 | — | — | WO | disclosed |
| US-5130438-A | Reaction of bis(methylsulfonoxymethyl)ether with pyridino-2-aldoxime and then isonicotinamide followed by ino exchanging chloride | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1992-07-14 | — | — | US | disclosed |
| US-5130438-A | Reaction of bis(methylsulfonoxymethyl)ether with pyridino-2-aldoxime and then isonicotinamide followed by ino exchanging chloride | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1992-07-14 | — | — | US | disclosed |
| US-5130438-A | Reaction of bis(methylsulfonoxymethyl)ether with pyridino-2-aldoxime and then isonicotinamide followed by ino exchanging chloride | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1992-07-14 | — | — | US | disclosed |