SCHEMBL9012179

SCHEMBL9012179

C=C(CC)COC(C)=O

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
SCHEMBL8612369 0.87 ALDH1A1 (0.48)
Alcohol SCHEMBL28292678 0.85 ALDH1A1 (0.48)
SCHEMBL10990149 0.82 ALDH1A1 (0.46)
SCHEMBL9322690 0.81 THRB (0.50)
SCHEMBL9010816 0.81 ALDH1A1 (0.44)
SCHEMBL7257060 0.80
Ethyl Acetate SCHEMBL15797777 0.80 ALDH1A1 (0.70)
SCHEMBL10990152 0.80
SCHEMBL10457016 0.78
SCHEMBL11866078 0.78 ALDH1A1 (0.40)

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025095081-A1 MODIFIED ETHYLENE-VINYL ALCOHOL COPOLYMER, GAS BARRIER MATERIAL, FILM OR SHEET, MULTILAYER STRUCTURE, PACKAGING CONTAINER, AND METHOD FOR PRODUCING MODIFIED ETHYLENE-VINYL ALCOHOL COPOLYMER 三菱ケミカル株式会社 2025-05-08 WO disclosed
US-9770528-B2 Biomaterial compositions CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2017-09-26 US disclosed
US-20160355466-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-12-08 US disclosed
US-20160096808-A1 METHODS OF RESOLVING RACEMIC MIXTURE TO OBTAIN (-)-HUPERZINE A AMPHASTAR NANJING PHARMACEUTICALS INC. (CN) 2016-04-07 US disclosed
US-20160058907-A1 BIOMATERIAL COMPOSITIONS CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2016-03-03 US disclosed
US-9186302-B2 Biomaterial compositions CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-11-17 US disclosed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20130210953-A1 BIOMATERIAL COMPOSITIONS CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2013-08-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
EP-0243160-B2 Blocked isocyanatocarbonyl group-containing polymers NIPPON PAINT CO LTD (JP) 1996-11-13 EP disclosed
US-5274062-A An N-(substituted oxalyl)-halopropionamide NIPPON PAINT CO., LTD. (JP) 1993-12-28 US disclosed
US-5208308-A N-Oxalyl-Substituted NIPPON PAINT CO., LTD. (JP) 1993-05-04 US disclosed
US-4970281-A COATINGS, ADHESIVES, MOLDING NIPPON PAINT CO., LTD. (JP) 1990-11-13 US disclosed
US-4956491-A MONOMERS FOR RESINS USED IN COATINGS, ADHESIVES OR MOLDING MATERIALS NIPPON PAINT CO., LTD. (JP) 1990-09-11 US disclosed
US-4914225-A MOLDING MATERIALS, COATINGS, ADHESIVES NIPPON PAINT CO., LTD. (JP) 1990-04-03 US disclosed
US-4816537-A COATINGS, AUTOMOBILES NIPPON PAINT CO., LTD. (JP) 1989-03-28 US disclosed
EP-0243208-A2 Acrylamide derivatives and their polymers Nippon Paint Co., Ltd. (JP) 1987-10-28 EP disclosed
EP-0243207-A2 Alpha-alkylacrylamide derivatives and their polymers Nippon Paint Co., Ltd. (JP) 1987-10-28 EP disclosed
EP-0243160-A2 Blocked isocyanatocarbonyl group-containing polymers Nippon Paint Co., Ltd. (JP) 1987-10-28 EP disclosed
US-3949007-A METAL HYDROXIDE OR ALKOXIDE CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed