⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL108502 | 0.67 | — | — | |
| SCHEMBL1057667 | 0.65 | — | — | |
| SCHEMBL81184 | 0.65 | — | — | |
| SCHEMBL29524653 | 0.65 | — | — | |
| Diphenylether SCHEMBL12286 | 0.63 | LTA4H (1.00) | — | |
| Diphenylether SCHEMBL9061108 | 0.63 | LTA4H (1.00) | — | |
| Diphenylether SCHEMBL4950525 | 0.63 | LTA4H (1.00) | — | |
| SCHEMBL14905 | 0.63 | LTA4H (0.60) | — | |
| Diphenylether SCHEMBL2461810 | 0.63 | LTA4H (1.00) | — | |
| SCHEMBL8885 | 0.63 | LTA4H (0.50) | — |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110437836-A | A kind of phosphor material and preparation method thereof based on graphene quantum dot | NINGBO GRAPHENE INNOVATION CT CO LTD | 2019-11-12 | — | — | CN | claimed |
| CN-106588618-B | A method of the Phenol by Hydrogen Peroxide oxidative synthesis 1,4-benzoquinone of catalyst containing selenium | 江苏扬农化工集团有限公司 | 2019-07-02 | — | — | CN | claimed |
| CN-105384658-B | A kind of method for synthesizing anise nitrile | 扬州大学 | 2017-11-17 | — | — | CN | claimed |
| CN-106673974-A | Method for preparing aldehyde ketone by alcohol oxidation | 扬州大学 | 2017-05-17 | — | — | CN | claimed |
| CN-106588618-A | Method for catalyzing oxidation of phenol and hydrogen peroxide with selenium-containing catalyst for synthesis of p-benzoquinone | 江苏扬农化工集团有限公司 | 2017-04-26 | — | — | CN | claimed |
| CN-105130807-B | A kind of synthetic method of α keto esters | 扬州大学 | 2017-03-29 | — | — | CN | claimed |
| CN-105384658-A | Method for synthesizing anisonitrile | UNIV YANGZHOU | 2016-03-09 | — | — | CN | claimed |
| CN-105130807-A | Synthetic method of [alpha]-keto ester | UNIV YANGZHOU | 2015-12-09 | — | — | CN | claimed |
| CN-104262143-A | Method for synthesizing alkene ester | UNIV YANGZHOU | 2015-01-07 | — | — | CN | claimed |
| CN-103396338-B | Method for synthesizing nitrile from aldoxime under catalyzing of selenium-containing catalyst | UNIV YANGZHOU | 2014-11-19 | — | — | CN | claimed |
| CN-103396338-A | Method for synthesizing nitrile from aldoxime under catalyzing of selenium-containing catalyst | UNIV YANGZHOU | 2013-11-20 | — | — | CN | claimed |
| WO-2011030108-A1 | JMJD2 DEMETHYLASE INHIBITORS | ISIS INNOVATION LIMITED (GB) | 2011-03-17 | — | — | WO | claimed |
| CN-101747335-A | N-bridged Quaterrylene derivatives and preparation method thereof | CHINESE ACAD INST CHEMISTRY | 2010-06-23 | — | — | CN | claimed |
| US-4434080-A | DIOXYIODO AROMATICS | ROUSSEL UCLAF (FR) | 1984-02-28 | — | — | US | claimed |
| CN-110437836-A | A kind of phosphor material and preparation method thereof based on graphene quantum dot | NINGBO GRAPHENE INNOVATION CT CO LTD | 2019-11-12 | — | — | CN | disclosed |
| CN-110183327-A | A kind of method that catalysis oxidation hydroxy ester prepares keto ester | 大连理工大学 | 2019-08-30 | — | — | CN | disclosed |
| CN-106588618-B | A method of the Phenol by Hydrogen Peroxide oxidative synthesis 1,4-benzoquinone of catalyst containing selenium | 江苏扬农化工集团有限公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-1182425-A | Benzimidazole compounds and their use as modulators of the GABAA receptor complex | NEUROSEARCH AS (DK) | 1998-05-20 | — | — | CN | disclosed |
| CN-1099391-A | Benzimidazole compounds, their use and preparation | NEUROSEARCH AS (JP) | 1995-03-01 | — | — | CN | disclosed |
| US-4689410-A | REACTION WITH PHOSGENE AND OZONE | ROUSSEL UCLAF (FR) | 1987-08-25 | — | — | US | disclosed |