⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL7287347 | 0.95 | — | — | |
| Acetone SCHEMBL28869975 | 0.88 | LMNA (0.46) | — | |
| Benzene SCHEMBL7207856 | 0.88 | LMNA (0.46) | — | |
| Acetic Acid SCHEMBL28907430 | 0.86 | — | — | |
| Acetic Acid SCHEMBL10680248 | 0.86 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL6905387 | 0.86 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL393952 | 0.86 | — | — | |
| Acetone SCHEMBL8359214 | 0.84 | LMNA (0.43) | — | |
| Acetone SCHEMBL28492790 | 0.84 | ALDH1A1 (0.43) | — | |
| Acetone SCHEMBL7873135 | 0.84 | LMNA (0.43) | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115684448-B | Method for detecting residual quantity of fluroxypyr and metabolite thereof in plant source product | 泉州海关综合技术服务中心 | 2024-11-22 | — | — | CN | claimed |
| CN-115684448-A | Method for detecting residual quantity of fluopicoline and metabolites thereof in plant source product | 泉州海关综合技术服务中心 | 2023-02-03 | — | — | CN | claimed |
| CN-105963500-B | Traditional Chinese medicine preparation for treating cold and preparation method and detection method thereof | 陕西开元制药有限公司 | 2020-03-17 | — | — | CN | claimed |
| CN-106970178-B | It is a kind of based on hydrophobic nonionic exchange Solid Phase Extraction cigarette mainstream flue gas in the peculiar N- nitrosamine of tobacco extraction and assay method | 国家烟草质量监督检验中心 | 2018-11-09 | — | — | CN | claimed |
| CN-107064354-A | The extraction of N nitrosamine and assay method in a kind of solanaceous vegetable that SPE is exchanged based on hydrophobic nonionic | 国家烟草质量监督检验中心 | 2017-08-18 | — | — | CN | claimed |
| CN-107064355-A | A kind of heating for exchanging SPE based on hydrophobic nonionic is not burnt the extraction of the peculiar N nitrosamine of tobacco and assay method in cigarette | 国家烟草质量监督检验中心 | 2017-08-18 | — | — | CN | claimed |
| CN-107064385-A | The extraction of N nitrosamine and assay method in a kind of bolete that SPE is exchanged based on hydrophobic nonionic | 国家烟草质量监督检验中心 | 2017-08-18 | — | — | CN | claimed |
| CN-107064356-A | The extraction of the peculiar N nitrosamine of tobacco and assay method in a kind of electronic cigarette liquid that SPE is exchanged based on hydrophobic nonionic | 国家烟草质量监督检验中心 | 2017-08-18 | — | — | CN | claimed |
| CN-106970178-A | The extraction of the peculiar N nitrosamine of tobacco and assay method in a kind of cigarette mainstream flue gas that SPE is exchanged based on hydrophobic nonionic | 国家烟草质量监督检验中心 | 2017-07-21 | — | — | CN | claimed |
| CN-106841474-A | The extraction of the peculiar N nitrosamine of tobacco and assay method in a kind of tobacco or tobacco product based on hydrophobic nonionic exchange SPE | 国家烟草质量监督检验中心 | 2017-06-13 | — | — | CN | claimed |
| CN-106841461-A | The extraction of N nitrosamine and assay method in a kind of product for quitting smoking that SPE is exchanged based on hydrophobic nonionic | 国家烟草质量监督检验中心 | 2017-06-13 | — | — | CN | claimed |
| CN-101156893-A | Mass control method of apricot red injection | GUIYANG YUNYAN XICHUANG PHARM (CN) | 2008-04-09 | — | — | CN | claimed |
| CN-122063208-A | Method for detecting zearalanol mycotoxin in traditional Chinese medicine preparation | 成都市药品检验研究院 | 2026-05-19 | — | — | CN | disclosed |
| CN-119588317-A | Magnetic covalent framework material and application thereof in detection of bee product quinolone medicines | 武汉儿童医院 | 2025-03-11 | — | — | CN | disclosed |
| CN-115684448-B | Method for detecting residual quantity of fluroxypyr and metabolite thereof in plant source product | 泉州海关综合技术服务中心 | 2024-11-22 | — | — | CN | disclosed |
| CN-116236537-B | Ephedra cough-relieving capsule and production process thereof | 陕西开元制药有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-104807937-B | The detection method of captan residual quantity in a kind of vegetables and fruit | INSTITUTE OF PLANT PROTECTION, SHANDONG ACADEMY OF AGRICULTURAL SCIENCES (CN) | 2016-03-23 | — | — | CN | disclosed |
| CN-104807937-A | Method for detecting residual quantity of orthocide in vegetables and fruits | INST PLANT PROT SHANDONG ACADEMY AGRICULTURAL SCIENCES | 2015-07-29 | — | — | CN | disclosed |
| US-5679793-A | ANHYDROUS SOLUTION REACTION OF A DIHYDROXYKETONE OR AN ACYLOIN WITH AN AMMONIUM SALT; FLAVORING INGREDIENTS | FIRMENICH SA (CH) | 1997-10-21 | — | — | US | disclosed |
| US-5668159-A | ANTICOAGULANTS FOR CARDIOVASCULAR DISORDERS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-09-16 | — | — | US | disclosed |