⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL18092815 | 0.85 | — | — | |
| SCHEMBL11014838 | 0.72 | — | — | |
| SCHEMBL15360636 | 0.72 | — | — | |
| SCHEMBL28895234 | 0.72 | — | — | |
| SCHEMBL11423212 | 0.67 | TDP1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL4450181 | 0.64 | TDP1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6225805 | 0.64 | TDP1 (0.33) | — | |
| SCHEMBL15998831 | 0.62 | — | — | |
| Nitrous Acid SCHEMBL42238 | 0.61 | TDP1 (0.61) | — | |
| SCHEMBL9912404 | 0.61 | — | — |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119977883-A | Procaterol nitrosamine hydrochloride impurity as well as preparation method and application thereof | 淮安市第二人民医院 | 2025-05-13 | — | — | CN | claimed |
| CN-111751456-B | Method for simultaneously and quantitatively detecting nitrosamine and nitrosamine producibility in elastomer sealing element | 上海市食品药品包装材料测试所 | 2023-04-28 | — | — | CN | claimed |
| CN-112129853-A | Method for detecting nitrosamine impurities in candesartan cilexetil | 天地恒一制药股份有限公司 | 2020-12-25 | — | — | CN | claimed |
| CN-111751456-A | Method for simultaneously and quantitatively detecting nitrosamine and nitrosamine generable substances in elastomer sealing element | 上海市食品药品包装材料测试所 | 2020-10-09 | — | — | CN | claimed |
| CN-110286163-A | The analysis method of 9 kinds or more nitrosamine compounds in water | 国家地质实验测试中心 | 2019-09-27 | — | — | CN | claimed |
| CN-110274977-A | The detection method of N- nitrosamine compound in a kind of food | 南通市产品质量监督检验所 | 2019-09-24 | — | — | CN | claimed |
| CN-110261517-A | Utilize the method for N- nitrosamine compound in GPC-GC/MS/MS measurement meat products | 南通市产品质量监督检验所 | 2019-09-20 | — | — | CN | claimed |
| CN-109696499-A | A kind of nitrosamine Sensitive Determination method in the water based on high resolution mass spec | 中国检验检疫科学研究院 | 2019-04-30 | — | — | CN | claimed |
| CN-104568562-B | The preprocess method of nitrosamine compound in a kind of water sample and its suspension | 中国地质大学（武汉） | 2017-12-29 | — | — | CN | claimed |
| CN-111751456-B | Method for simultaneously and quantitatively detecting nitrosamine and nitrosamine producibility in elastomer sealing element | 上海市食品药品包装材料测试所 | 2023-04-28 | — | — | CN | disclosed |
| CN-115894488-A | Vanillan tartrate bulk drug with low nitrosamine impurity content and preparation method thereof | 威智医药有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-115721724-A | Pharmaceutical composition containing secondary amine compound and preparation and application thereof | 山东威智中科药业有限公司 | 2023-03-03 | — | — | CN | disclosed |
| CN-115721625-A | Pharmaceutical composition containing mirabegron and preparation and application thereof | 山东威智中科药业有限公司 | 2023-03-03 | — | — | CN | disclosed |
| CN-115707687-A | Related impurity compound of varenicline tartrate and preparation, application and detection methods thereof | 威智医药有限公司 | 2023-02-21 | — | — | CN | disclosed |
| WO-2000042099-A1 | IN SITU PREPARATION OF A BIS-(BENZOTHIAZOLESULFEN)AMIDE IN A POLYMERIC MATRIX | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2000-07-20 | — | — | WO | disclosed |
| US-6068823-A | Process for the benign direct fixation and conversion of nitrogen oxides | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2000-05-30 | — | — | US | disclosed |
| CN-1242999-A | Pure natural health-care article for eliminating smoke harm | XIANG WEI (CN) | 2000-02-02 | — | — | CN | disclosed |
| EP-0656371-B1 | Process for shortstopping emulsion polymerizations which does not generate nitrosamines | ENICHEM ELASTOMERS (IT) | 1997-04-23 | — | — | EP | disclosed |
| EP-0656371-A2 | Process for shortstopping emulsion polymerizations which does not generate nitrosamines | ENICHEM ELASTOMERI S.r.l. (IT) | 1995-06-07 | — | — | EP | disclosed |
| CN-2067483-U | COMPOSITE CIGARETTE HOLDER FOR FILTERING NOXIOUS GAS | WUCHENG COUNTY ENVIRONMENTAL P (CN) | 1990-12-19 | — | — | CN | disclosed |