SCHEMBL133539

SCHEMBL133539

[CH2]CCCCOC(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
SCHEMBL4740813 0.97 ALDH1A1 (0.58)
SCHEMBL297163 0.97 ALDH1A1 (0.58)
SCHEMBL10887363 0.97 ALDH1A1 (0.58)
SCHEMBL7841371 0.97 ALDH1A1 (0.58)
SCHEMBL9362486 0.97 ALDH1A1 (0.58)
SCHEMBL129583 0.97 ALDH1A1 (0.58)
SCHEMBL9357943 0.97 ALDH1A1 (0.58)
SCHEMBL5397748 0.97 ALDH1A1 (0.58)
SCHEMBL2688058 0.97 ALDH1A1 (0.58)
SCHEMBL9193886 0.95 ALDH1A1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112209956-B Method for preparing 2, 6-disubstituted aryl borate compound 同济大学 2023-05-12 CN claimed
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP claimed
CN-112209956-A Method for preparing 2, 6-disubstituted aryl borate compound 同济大学 2021-01-12 CN claimed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 US claimed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US claimed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP claimed
US-20120232077-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS ACURX PHARMACEUTICALS, LLC 2012-09-13 US claimed
EP-2475252-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS Glsynthesis Inc. (US) 2012-07-18 EP claimed
WO-2011031935-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS GLSYNTHESIS INC. (US) 2011-03-17 WO claimed
EP-1558654-A4 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF FUJIFILM ELECTRONIC MATERIALS (US) 2006-04-05 EP claimed
EP-1558654-A2 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF Fujifilm Electronic Materials USA, Inc. (US) 2005-08-03 EP claimed
US-6916543-B2 Copolymer, photoresist compositions thereof and deep UV bilayer system thereof ARCH SPECIALTY CHEMICALS, INC. (US) 2005-07-12 US claimed
US-20040137362-A1 Novel copolymer, photoresist compositions thereof and deep UV bilayer system thereof ARCH SPECIALTY CHEMICALS, INC. 2004-07-15 US claimed
WO-2004040371-A2 NOVEL COPOLYMER AND PHOTORESIST COMPOSITIONS THEREOF ARCH SPECIALTY CHEMICALS, INC. (US) 2004-05-13 WO claimed
US-5304549-A Control or prevention of degenerative joint diseases HOFFMANN-LA ROCHE INC. (US) 1994-04-19 US claimed
EP-0297710-B1 DISPERSE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-02 EP claimed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP claimed
US-4881943-A Disperse dyes: nitro-thiophene azo dyes for bright blue shades on polyester IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-21 US claimed
US-4873362-A REACTING AN ACYLOXYACETALDEHYDE WITH AN ALDEHYDE USING AN AMINE AND ACID CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1989-10-10 US claimed
EP-0297710-A1 Disperse dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-04 EP claimed