SCHEMBL68124

SCHEMBL68124

O=C([O-])C(F)(F)Cl.[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
Potassium Ion SCHEMBL4855237 0.93
Silver SCHEMBL10653409 0.93
Lithium Ion SCHEMBL5963077 0.93
SCHEMBL4848010 0.93 CA4 (0.33)
SCHEMBL4855381 0.93 CA4 (0.33)
SCHEMBL26612247 0.93
SCHEMBL6119631 0.86
SCHEMBL28716379 0.80
Potassium Ion SCHEMBL11609221 0.79
Silver SCHEMBL11855500 0.79

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

Appears in 5035 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121574078-A Synthesis method of 3- (difluoromethyl sulfonyl) benzoic acid compound 天津楷特药业有限公司 2026-02-27 CN claimed
CN-116947780-B Preparation method of thiazolidine-4-thioketone derivative 华侨大学 2025-06-03 CN claimed
CN-116082240-B Succinate dehydrogenase inhibitor and synthesis method and application thereof 华中农业大学 2025-04-01 CN claimed
CN-119528806-A Synthesis method of 5-difluoromethoxy-2-pyridine formaldehyde 南京琦诺医药科技有限公司 2025-02-28 CN claimed
CN-119462494-A Synthesis method of 5-difluoromethoxy-2-pyridine formaldehyde 南京琦诺医药科技有限公司 2025-02-18 CN claimed
CN-119307939-A Novel method for electrochemically promoting carbon-sulfur bond synthesis 南京林业大学 2025-01-14 CN claimed
CN-119241424-A Preparation method of 2- (difluoromethoxy) -5-bromopyridine 浙江药领医药科技有限公司 2025-01-03 CN claimed
CN-115838338-B Method for preparing amide 浙江工业大学 2024-12-24 CN claimed
CN-117466799-B N-substituted phthalic acid diamide preparation method of imine compound 西北师范大学 2024-12-24 CN claimed
CN-114085234-B Process for preparing 1, 3-benzodioxole heterocyclic compounds 联合疗法公司 2024-12-17 CN claimed
US-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US claimed
EP-1718305-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES Bayer CropScience AG (DE) 2006-11-08 EP claimed
WO-2005079798-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES BAYER CROPSCIENCE AG (DE) 2005-09-01 WO claimed
EP-1289365-B1 USE OF PHENETHYL ACRYLAMIDES, NOVEL PHENETHYL ACRYLAMIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THE SAME BASF AG (DE) 2004-09-08 EP claimed
US-6696607-B2 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-02-24 US claimed
US-20030191190-A1 Use of phenethyl acrylamides, novel phenethyl acrylamides, method for the production thereof and agents containing the same BASF AKTIENGESELLSCHAFT (DE) 2003-10-09 US claimed
EP-1289365-A2 USE OF PHENETHYL ACRYLAMIDES, NOVEL PHENETHYL ACRYLAMIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP claimed
WO-2001095721-A2 USE OF PHENETHYL ACRYLAMIDES, NOVEL PHENETHYL ACRYLAMIDES, AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2001-12-20 WO claimed
US-5869583-A BULK, SOLUTION, EMULSION OR SUSPENSION POLYMERIZATION IN PRESENCE OF INITIATING SYSTEM COMPRISING RADICAL GENERATING COMPOUND AND METAL COMPLEX CATALYST CONTAINING SPECIFIED LIGAND ELF ATOCHEM S.A. (FR) 1999-02-09 US claimed
US-5731477-A Method for synthesis of aryl difluoromethyl ethers SMITHKLINE BEECHAM CORPORATION (US) 1998-03-24 US claimed