⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11784790 | 0.77 | MAPK1 (0.38) | — | |
| SCHEMBL3677527 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL434840 | 0.73 | MEN1 (0.30) | — | |
| SCHEMBL22219790 | 0.67 | — | — | |
| SCHEMBL28793392 | 0.63 | — | — | |
| SCHEMBL22219788 | 0.63 | — | — | |
| SCHEMBL22219926 | 0.62 | — | — | |
| SCHEMBL352000 | 0.61 | — | — | |
| SCHEMBL3383991 | 0.61 | — | — | |
| SCHEMBL933533 | 0.61 | MAPK1 (0.56) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110437459-A | A kind of catalytic degradation mustard gas analogies material and preparation method thereof | UNIV ZHENGZHOU | 2019-11-12 | — | — | CN | claimed |
| CN-105879289-B | Using the method for more niobium vanadium oxygen cluster catalyzing oxidizing degrading 2- chloroethylethyl thioethers | 北京理工大学 | 2018-09-25 | — | — | CN | claimed |
| CN-108559100-A | Metal ion guides application of the Carboxylic acid ligand functionalization polyacid compound and preparation method thereof with catalytic degradation chemical warfare agent analogies | 大连理工大学 | 2018-09-21 | — | — | CN | claimed |
| CN-104198603-B | The analysis purposes of sulfydryl class nucleophilic displacement of fluorine derivatization reagent and method | 中国人民解放军军事医学科学院毒物药物研究所 | 2016-09-14 | — | — | CN | claimed |
| CN-105879289-A | Method for catalyzing, oxidizing and degrading 2-chloroethyl ethyl sulfide through multi-niobium-vanadium-oxygen clusters | 北京理工大学 | 2016-08-24 | — | — | CN | claimed |
| CN-115304570-A | Pre-fluorescent probe and kit detection test strip for mustard gas and preparation method thereof | 中国科学技术大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-114835733-A | Sp (sp) 2 Preparation method of-C metal organic framework and application of detoxified mustard gas simulant | 南昌大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-110372723-B | Hepatitis B virus surface antigen inhibitors | 福建广生中霖生物科技有限公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-108195891-B | Semiconductor sensor and quantitative detection method of mustard gas or mustard gas simulator gas | 中国人民解放军陆军防化学院 | 2021-11-23 | — | — | CN | disclosed |
| CN-109174100-B | Decontaminating agent, preparation method and application thereof | 中国检验检疫科学研究院 | 2021-10-15 | — | — | CN | disclosed |
| CN-110437459-A | A kind of catalytic degradation mustard gas analogies material and preparation method thereof | UNIV ZHENGZHOU | 2019-11-12 | — | — | CN | disclosed |
| CN-110409165-A | A kind of Organic-inorganic composite nano fibrous membrane and preparation method thereof based on electrostatic spinning technique | BEIJING INST FASHION TECH | 2019-11-05 | — | — | CN | disclosed |
| CN-104694514-A | Dehalogenase DhmB, encoding gene and application thereof | CHINESE ACAD INST MICROBIOLOGY | 2015-06-10 | — | — | CN | disclosed |
| CN-104684888-A | Fluorene compound, photopolymerization initiator containing the fluorene compound, and photosensitive composition containing the photopolymerization initiator | DAITO CHEMIX CORP | 2015-06-03 | — | — | CN | disclosed |
| CN-102371742-B | Fabric capable of quickly absorbing chemicals | INST PHARM & TOXICOLOGY AMMS | 2015-05-20 | — | — | CN | disclosed |
| CN-204168578-U | A kind of device under atmospheric pressure producing low temperature plasma | NANJING HENAIAN HEALTH TECHNOLOGY CO LTD | 2015-02-18 | — | — | CN | disclosed |
| CN-204168591-U | A kind of air forces down isothermal plasma generation device | NANJING HENAIAN HEALTH TECHNOLOGY CO LTD | 2015-02-18 | — | — | CN | disclosed |
| CN-104231141-A | Amino nitrogen heterocyclic ring resin and preparation method thereof | XI AN SUNRESIN NEW MATERIALS CO LTD | 2014-12-24 | — | — | CN | disclosed |
| CN-101803612-B | Solid binary peroxy acid disinfectant | CHEMICAL DEFENSE COMMANDING ENGINEERING UNIVERSITY PLA | 2013-04-17 | — | — | CN | disclosed |
| CN-101803612-A | Solid binary peroxy acid disinfectant | CHEMICAL DEFENSE COMMANDING ENGINEERING UNIVERSITY PLA | 2010-08-18 | — | — | CN | disclosed |