SCHEMBL128117

SCHEMBL128117

CC(Br)C(=O)[O-].[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL10408913 0.93
SCHEMBL10409924 0.93 CA1 (0.38)
SCHEMBL10410195 0.93 CA1 (0.38)
Potassium Ion SCHEMBL7035134 0.93
SCHEMBL8926648 0.93 CA1 (0.38)
SCHEMBL10410220 0.93
SCHEMBL8605846 0.93 CA1 (0.38)
Lithium Ion SCHEMBL10408805 0.93
SCHEMBL10409895 0.93 CA1 (0.38)
Zinc Ion SCHEMBL28700463 0.93 CA1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040283-A Flurbiprofen axetil salt and preparation method and application thereof 广东莱恩医药研究院有限公司 2025-05-27 CN claimed
US-20250136767-A1 ULTRASOUND-ASSISTED CARBOXYALKYLATION OF LIGNIN CORPORATION DE L'ÉCOLE POLYTECHNIQUE DE MONTRÉAL (CA) 2025-05-01 US claimed
CN-114195634-B Preparation method of 2-biphenyl propionic acid compound 上海惠永药物研究有限公司 2024-12-13 CN claimed
EP-4453307-A1 ULTRASOUND-ASSISTED CARBOXYALKYLATION OF LIGNIN Corporation de L'Ecole Polytechnique de Montreal (CA) 2024-10-30 EP claimed
CN-118496833-A Modified graphene oxide nano-particles, composite flooding composition, preparation and application thereof 中国石油天然气股份有限公司 2024-08-16 CN claimed
CN-118406221-A Zwitterionic polymer-based organic-inorganic composite nano particle, and preparation method and application thereof 复旦大学 2024-07-30 CN claimed
CN-118164846-A Synthesis method of dexketoprofen, intermediate and application thereof 南京卡文迪许生物工程技术有限公司 2024-06-11 CN claimed
CN-116764156-A Fluorine-free composition with fire extinguishing function and method for preparing fluorine-free fire extinguishing agent 中国石油化工股份有限公司 2023-09-19 CN claimed
CN-116715689-A Synthesis method of flurbiprofen and intermediate thereof 珠海市海瑞德生物科技有限公司 2023-09-08 CN claimed
WO-2023115206-A1 ULTRASOUND-ASSISTED CARBOXYALKYLATION OF LIGNIN POLYVALOR, LIMITED PARTNERSHIP (CA) 2023-06-29 WO claimed
CN-114195634-A Preparation method of 2-biphenylyl propionic acid compound 上海惠永药物研究有限公司 2022-03-18 CN claimed
CN-103910739-A Bisbenzylisoquinoline glycine betaines as well as preparation method and application thereof in preparing anti-tumor medicines UNIV SHANDONG NORMAL 2014-07-09 CN claimed
EP-1529065-B1 METHOD FOR THE CONTROLLED RADICAL POLYMERISATION OF ACRYLIC ACID AND THE SALTS THEREOF, POLYMERS THUS OBTAINED AND APPLICATIONS THEREOF COATEX SAS (FR) 2010-01-20 EP claimed
US-7462676-B2 Method for the controlled radical polymerisation of acrylic acid and the salts thereof, polymers thus obtained and applications thereof COATEX S.A.S. (FR) 2008-12-09 US claimed
US-20060111534-A1 Method for the controlled radical polymerisation of acrylic acid and the salts thereof, polymers thus obtained and applications thereof COATEX S.A.S. (FR) 2006-05-25 US claimed
JP-58157744-A None JP disclosed
CN-116715689-B Synthesis method of flurbiprofen and intermediate thereof 珠海市海瑞德生物科技有限公司 2025-12-12 CN disclosed
JP-S58157744-A PRODUCTION OF ALPHA-SUBSTITUTED PHENYLALKANECARBOXYLIC ACID DERIVATIVE DAINIPPON INK & CHEM INC 1983-09-19 JP disclosed
US-4036801-A ISOCYANATE GROUPS KAO SOAP CO., LTD. (JA) 1977-07-19 US disclosed
US-3997490-A Aqueous dispersions of amphoteric polyurethane-urea and method of making KAO SOAP CO., LTD. (JA) 1976-12-14 US disclosed