⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18531119 | 0.74 | — | — | |
| SCHEMBL11695184 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL3501059 | 0.73 | — | — | |
| SCHEMBL1578060 | 0.69 | — | — | |
| SCHEMBL17825605 | 0.69 | — | — | |
| N-Nitrosodiethylamine SCHEMBL28087789 | 0.67 | TSHR (0.81) | — | |
| SCHEMBL7130140 | 0.67 | ALDH1A1 (0.42) | — | |
| N-Nitrosodiethylamine SCHEMBL106629 | 0.67 | — | — | |
| N-Nitrosodiethylamine SCHEMBL8046777 | 0.67 | TSHR (1.00) | — | |
| SCHEMBL32661414 | 0.66 | DNM1 (0.52) | — |
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 372 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260014284-A1 | PROCESS FOR PREPARATION OF RADIOLABELED STYRYLPYRIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF | JUBILANT DRAXIMAGE INC (CA) | 2026-01-15 | — | — | US | claimed |
| CN-119438441-A | Detection method of cyclosiloxane, phthalate plasticizer and nitrosamine in medicinal packaging material | 重庆医药高等专科学校 | 2025-02-14 | — | — | CN | claimed |
| CN-119269672-A | Extraction, separation and detection method for N-nitrosamine | 华南理工大学 | 2025-01-07 | — | — | CN | claimed |
| CN-119224148-A | Detection method for determining nitrosamine compounds in cold medicine based on gas chromatography-tandem mass spectrometry | 绍兴市疾病预防控制中心 | 2024-12-31 | — | — | CN | claimed |
| CN-118424979-A | Detection method and application of nitrogen-containing organic matters in gas particulate matters | 天津大学 | 2024-08-02 | — | — | CN | claimed |
| CN-118032884-A | Molecularly imprinted epitaxial gate field effect sensor for detecting nitrosamine compounds, and preparation method and application thereof | 天津大学 | 2024-05-14 | — | — | CN | claimed |
| CN-115452973-B | Method for detecting ethyl chloroformate in thiamphenicol hydrochloride glycine ester | 珠海润都制药股份有限公司 | 2024-03-12 | — | — | CN | claimed |
| EP-3694343-B1 | CIGARETTE ROLLING PAPERS FORMED FROM KOMBUCHA BIOFILMS | MOSHASHA SHAUN (US) | 2023-11-22 | — | — | EP | claimed |
| CN-115184505-B | Method for detecting nitrosamine in gas | 上海安谱实验科技股份有限公司 | 2023-09-19 | — | — | 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 |
| WO-2012047349-A1 | SMOKE FILTERS FOR SMOKING DEVICES INCLUDING POROUS MASSES | CELANESE ACETATE LLC (US) | 2012-04-12 | — | — | WO | claimed |
| WO-2012047346-A1 | SMOKE FILTERS FOR SMOKING DEVICES WITH POROUS MASSES HAVING ACTIVE NANOPARTICLES AND BINDER PARTICLES | CELANESE ACETATE LLC (US) | 2012-04-12 | — | — | WO | claimed |
| WO-2012047348-A1 | SMOKE FILTERS FOR SMOKING DEVICES WITH POROUS MASSES HAVING A CARBON PARTICLE LOADING AND AN ENCAPSULATED PRESSURE DROP | CELANESE ACETATE LLC (US) | 2012-04-12 | — | — | WO | claimed |
| WO-2012047347-A1 | SMOKE FILTERS FOR SMOKING DEVICES WITH POROUS MASSES OF ACTIVE AND BINDER PARTICLES HAVING DISCLOSED VOID VOLUMES | CELANESE ACETATE LLC (US) | 2012-04-12 | — | — | WO | claimed |
| EP-1684603-A2 | TOBACCO PRODUCT LABELING SYSTEM | Vector Tobacco Ltd. (BM) | 2006-08-02 | — | — | EP | claimed |
| WO-2005041151-A2 | TOBACCO PRODUCT LABELING SYSTEM | VECTOR TOBACCO LTD. (BM) | 2005-05-06 | — | — | WO | claimed |
| EP-0785186-B1 | Process for preparing diels-alder addition product from conjugated diolefin and acrylonitrile | MITSUI CHEMICALS INC (JP) | 2000-05-31 | — | — | EP | claimed |
| US-5861528-A | Process for preparing diels-alder addition product from conjugated diolefin and acrylonitrile | MITSUI CHEMICALS, INC. (JP) | 1999-01-19 | — | — | US | claimed |
| EP-0785186-A1 | Process for preparing diels-alder addition product from conjugated diolefin and acrylonitrile | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-23 | — | — | EP | claimed |
| US-4053317-A | N-NITROSO COMPOUND, PHOTOPOLYMERIZABLE COMPOUND | TEIJIN LIMITED (JA) | 1977-10-11 | — | — | US | claimed |