SCHEMBL533711

SCHEMBL533711

CCOC(=O)CCC#N

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Methyl Alcohol SCHEMBL9025055 0.98 KMT2A (0.50)
Cyclohexane SCHEMBL3245595 0.94 MEN1 (0.47)
Methylene Chloride SCHEMBL7854039 0.94 KMT2A (0.47)
Chloroform SCHEMBL8572106 0.92 KMT2A (0.46)
Hexane SCHEMBL6533487 0.92 DGKA (0.47)
SCHEMBL9311598 0.87 CYP1A2 (0.55)
Ammonia Solution, Strong SCHEMBL27604884 0.85 CYP1A2 (0.53)
SCHEMBL6670792 0.85 CYP1A2 (0.53)
Toluene SCHEMBL6619389 0.84 SMN1; SMN2 (0.48)
SCHEMBL5395125 0.84 GAA (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 490 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119595785-A Analysis method for detecting organic ultraviolet absorbent and metabolite thereof in urine 中国疾病预防控制中心环境与健康相关产品安全所 2025-03-11 CN claimed
CN-115774070-B Method for simultaneously measuring 19 chlorophenols in aquatic product 宁波市产品食品质量检验研究院(宁波市纤维检验所) 2025-01-03 CN claimed
CN-118754921-B Nucleoside trimer, preparation method thereof and application thereof in oligonucleotide synthesis 中国人民解放军军事科学院军事医学研究院 2024-12-13 CN claimed
CN-119043858-A Rapid detection method for sudan red in chilli product 山东华检检测有限公司 2024-11-29 CN claimed
CN-118754921-A Nucleoside trimer, preparation method thereof and application thereof in oligonucleotide synthesis 中国人民解放军军事科学院军事医学研究院 2024-10-11 CN claimed
CN-117624051-A Ionic liquid for eliminating azeotropic point of ethyl acetate and acetonitrile and application thereof 齐鲁工业大学(山东省科学院) 2024-03-01 CN claimed
CN-115433315-B Molecularly imprinted polymer, preparation method and application thereof, and method for simultaneously extracting three flavonoid glycoside compounds from polygonum multiflorum leaves 江西省科学院应用化学研究所 2023-12-22 CN claimed
CN-114280201-B Efficient separation method of polyphenol components in dandelion 山东省千佛山医院 2023-06-13 CN claimed
CN-115774070-A Method for simultaneously measuring 19 chlorophenol compounds in aquatic product 宁波市产品食品质量检验研究院(宁波市纤维检验所) 2023-03-10 CN claimed
CN-115684435-A Method for determining calcitriol soft capsule substances 河南泰丰生物科技有限公司 2023-02-03 CN claimed
CN-115317530-A Antibacterial and anti-inflammatory composition for improving breath and preparation method and application thereof 上海朗泰凯尔生物技术有限公司 2022-11-11 CN claimed
CN-114280201-A Efficient separation method for polyphenol components in dandelion 山东省千佛山医院 2022-04-05 CN claimed
CN-113563759-A Graphene and nano-silver composite material and preparation method thereof 中国科学院山西煤炭化学研究所 2021-10-29 CN claimed
CN-112661592-A Preparation method of high-purity lycopene isomer 中国科学院新疆理化技术研究所 2021-04-16 CN claimed
CN-107655990-B Method for detecting residual quantity of simazine in farmland environment based on gas chromatography-mass spectrometry technology 沈阳海关技术中心 2020-05-22 CN claimed
CN-107655990-A The method that Simanex residual quantity in farm environment is detected based on low-polarity components 沈阳出入境检验检疫局检验检疫综合技术中心 2018-02-02 CN claimed
CN-101726553-B Method for detecting thiamphenicol, florfenicol and residues of metabolite florfenicol amine in egg simultaneously UNIV YANGZHOU 2012-09-05 CN claimed
CN-101747246-A Method for simultaneously extracting thiamphenicol, florfenicol and metabolite florfenicol amine from eggs UNIV YANGZHOU 2010-06-23 CN claimed
CN-101726553-A Method for detecting thiamphenicol, florfenicol and residues of metabolite florfenicol amine in egg simultaneously UNIV YANGZHOU 2010-06-09 CN claimed
CN-101042378-A HPLC with evaporative Light-scatter measuring method for huangyangning, cyclovirobuxine D, buxus alkaloid and relative alkaloid content HANG TAIJUN (CN) 2007-09-26 CN claimed