SCHEMBL195729

SCHEMBL195729

CC(O)CC#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
SCHEMBL7519125 1.00
SCHEMBL7518104 1.00
Acetonitrile SCHEMBL27696067 0.94
Acetic Acid SCHEMBL29169409 0.87 FFAR3 (0.35)
Diethylamine SCHEMBL9762846 0.84 TP53 (0.38)
SCHEMBL10381398 0.79 TSHR (0.43)
SCHEMBL12778560 0.75
SCHEMBL5482009 0.75
SCHEMBL12779100 0.75
SCHEMBL5147416 0.75

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 741 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118899541-A Preparation method and application of lithium ion battery electrolyte additive 苏州德加能源科技有限公司 2024-11-05 CN claimed
CN-118290429-A Preparation method of non-zolpidem intermediate and non-zolpidem 山东百诺医药股份有限公司 2024-07-05 CN claimed
CN-117987005-A Compound for transparent flame-retardant coating and preparation method and application thereof 上海品诚控股集团有限公司 2024-05-07 CN claimed
CN-117209396-A Adipoyl-2, 2' -dimethylhydrazine and preparation method thereof 西安航洁化工科技有限责任公司 2023-12-12 CN claimed
CN-112020507-B Amide compound and method for producing polynucleotide using same 住友化学株式会社 2023-10-10 CN claimed
CN-116741519-A Magnetic nano composite particle, preparation method thereof and application thereof in cancer marker detection 福建师范大学 2023-09-12 CN claimed
US-11401296-B2 Amidite compound and method for producing polynucleotide using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-08-02 US claimed
CN-112680207-B Surfactant composition for oil extraction in oil field and preparation method thereof 河北峻极化工科技有限公司 2022-05-13 CN claimed
US-20210238217-A1 AMIDITE COMPOUND AND METHOD FOR PRODUCING POLYNUCLEOTIDE USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-08-05 US claimed
US-20210188856-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2021-06-24 US claimed
EP-1332150-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF Chattopadhyaya, Jyoti (SE) 2003-08-06 EP claimed
EP-1309715-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. Dupont de Nemours and Company (US) 2003-05-14 EP claimed
US-6562603-B2 Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-13 US claimed
EP-1301479-A2 STABILIZED 1$g(a)-HYDROXY VITAMIN D Bone Care International, Inc. (US) 2003-04-16 EP claimed
US-20030045509-A1 Hydroxyvitamin D characterized by a purity equal to or greater than 98% by a weight-based HPLC assay, residual solvents of 0.5% or less, a total impurity of 1. 5% or less, and no single impurity of greater than 0.5%. BONE CARE INTERNATIONAL, INC. 2003-03-06 US claimed
WO-2002038578-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF CHATTOPADHYAYA JYOTI (SE) 2002-05-16 WO claimed
US-20020039770-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2002-04-04 US claimed
WO-2002012530-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO claimed
WO-2002006218-A2 STABILIZED 1α-HYDROXY VITAMIN D BONE CARE INTERNATIONAL, INC. (US) 2002-01-24 WO claimed
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US claimed