⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL103889 | 0.79 | — | — | |
| SCHEMBL5024897 | 0.78 | — | — | |
| SCHEMBL8382707 | 0.76 | CHRM1 (0.37) | — | |
| SCHEMBL102982 | 0.76 | — | — | |
| Ethyl Nitrosourea SCHEMBL77485 | 0.76 | — | — | |
| SCHEMBL103667 | 0.75 | CA12 (0.40) | — | |
| SCHEMBL23829622 | 0.74 | TDP1 (0.36) | — | |
| SCHEMBL56768 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL3347031 | 0.72 | — | — | |
| SCHEMBL103983 | 0.72 | TSHR (0.36) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-104076106-B | Detection method when being suitable in Food Contact class rubber 9 kinds of N-nitrosamine | THE INSPECTION AND QUARANTINE TECHNOLOGY CENTER, ZHEJIANG ENTRY-EXIT INSPECTION AND QUARANTINE BUREAU (CN) | 2016-05-11 | — | — | CN | claimed |
| CN-104076106-A | Method suitable for simultaneously detecting 9 N-nitrosamines in food contact rubber products | INSPECTION AND QUARANTINE TECHNOLOGY CT ZHEJIANG ENTRY EXIT INSPECTION AND QUARANTINE BUREAU | 2014-10-01 | — | — | CN | claimed |
| CN-112322691-A | Rapid screening method and application of immune regulation activity of algal polysaccharide | 华南农业大学 | 2021-02-05 | — | — | CN | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| CN-107106970-A | The processing method and processing unit of nitroso compound | 三菱日立电力系统株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-206114531-U | Detection device of nitrosamine content in food based on chemiluminescence method | 安徽易康达光电科技有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-104076106-B | Detection method when being suitable in Food Contact class rubber 9 kinds of N-nitrosamine | THE INSPECTION AND QUARANTINE TECHNOLOGY CENTER, ZHEJIANG ENTRY-EXIT INSPECTION AND QUARANTINE BUREAU (CN) | 2016-05-11 | — | — | CN | disclosed |
| CN-104076106-B | Detection method when being suitable in Food Contact class rubber 9 kinds of N-nitrosamine | THE INSPECTION AND QUARANTINE TECHNOLOGY CENTER, ZHEJIANG ENTRY-EXIT INSPECTION AND QUARANTINE BUREAU (CN) | 2016-05-11 | — | — | CN | disclosed |
| CN-104785225-A | Method for preparing antiphase weak anion exchange mixed mode chromatographic stationary phase by using organic polymer as substrate | UNIV ZHEJIANG | 2015-07-22 | — | — | CN | disclosed |
| CN-104076106-A | Method suitable for simultaneously detecting 9 N-nitrosamines in food contact rubber products | INSPECTION AND QUARANTINE TECHNOLOGY CT ZHEJIANG ENTRY EXIT INSPECTION AND QUARANTINE BUREAU | 2014-10-01 | — | — | CN | disclosed |
| US-8728442-B2 | Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides | BAYER CROPSCIENCE LP (US) | 2014-05-20 | — | — | US | disclosed |
| US-8728442-B2 | Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides | BAYER CROPSCIENCE LP (US) | 2014-05-20 | — | — | US | disclosed |
| CN-102095814-B | Method for determining volatile nitrosamines in cosmetics | CHINESE ACAD INSP & QUARANTINE | 2012-10-10 | — | — | CN | disclosed |
| US-20120058058-A1 | COMPOUNDS DERIVED FROM MUSCODOR FUNGI | AGRAQUEST, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120058058-A1 | COMPOUNDS DERIVED FROM MUSCODOR FUNGI | AGRAQUEST, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| CN-102095814-A | Method for determining volatile nitrosamines in cosmetics | CHINESE ACAD INSP & QUARANTINE | 2011-06-15 | — | — | CN | disclosed |
| EP-1479675-A1 | Indazole-derivatives as factor Xa inhibitors | Aventis Pharma Deutschland GmbH (DE) | 2004-11-24 | — | — | EP | disclosed |