SCHEMBL247609

SCHEMBL247609

CC(Cl)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
SCHEMBL1331048 1.00
SCHEMBL607584 1.00
SCHEMBL3853308 1.00
SCHEMBL6914396 0.93 CA4 (0.41)
Silver SCHEMBL5915057 0.93
SCHEMBL10410226 0.93
SCHEMBL10408945 0.93 CA4 (0.41)
Lithium Ion SCHEMBL8013047 0.93
SCHEMBL10408801 0.93 CA4 (0.41)
SCHEMBL6908347 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119950414-A Temperature-sensitive modified chitin hydrogel injection and preparation method and application thereof 苏州康瑞健生物医疗科技有限公司 2025-05-09 CN claimed
US-20250136767-A1 ULTRASOUND-ASSISTED CARBOXYALKYLATION OF LIGNIN CORPORATION DE L'ÉCOLE POLYTECHNIQUE DE MONTRÉAL (CA) 2025-05-01 US claimed
CN-119552382-A Lignin-based magnetic super solid acid and preparation method and application thereof 中国科学院大连化学物理研究所 2025-03-04 CN 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
CN-118993911-A Zwitterionic surfactant and application thereof in tertiary oil recovery 南京师范大学 2024-11-22 CN claimed
EP-4453307-A1 ULTRASOUND-ASSISTED CARBOXYALKYLATION OF LIGNIN Corporation de L'Ecole Polytechnique de Montreal (CA) 2024-10-30 EP claimed
CN-118791496-A Preparation method of urotropine quaternary ammonium salt 湖北三峡实验室 2024-10-18 CN 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-114874783-B Fluorine-containing surfactant, application thereof, preparation method thereof and fire extinguishing agent formed by fluorine-containing surfactant 浙江睦田消防科技开发有限公司 2024-07-02 CN claimed
CN-117751938-A Nano container loaded with anti-fouling agent and anti-fouling paint composition 浙江鱼童新材料股份有限公司 2024-03-26 CN claimed
CN-106315556-A Preparation method for nitrogen and chlorine-doped carbon quantum dots 常州大学 2017-01-11 CN claimed
CN-103910739-B A kind of Bisbenzylisoquinolincompounds glycine betaine and preparation method thereof and the application in preparing antitumor drug 山东师范大学 2016-08-17 CN claimed
WO-2016110322-A1 NEW ADDITIVES FOR OILFIELD AND INDUSTRIAL APPLICATIONS AMRIL AG (CH) 2016-07-14 WO claimed
CN-105732358-A Synthesizing method of L-2-sodium chloropropionate 衢州信步化工科技有限公司 2016-07-06 CN claimed
CN-103923092-B Tetrandrine derivative and preparation method thereof and the application in antineoplastic preparation Shangdong Normal University (CN) 2016-05-11 CN claimed
CN-1931836-A Preparation method of 2-mercaptopropionic acid GU JIANRONG (CN) 2007-03-21 CN claimed
US-6093776-A REACTING SODIUM 2-CHLOROPROPIONATE WITH POLY(4-VINYLPYRIDINE) TO FORM WATER SOLUBLE POLY-(4-VINYLPYRIDINE)BETAINE POLYMER WHICH IS DYE TRANSER INHIBITOR USED IN LAUNDRY DETERGENTS AND FABRIC SOFTENERS ISP INVESTMENTS INC. (US) 2000-07-25 US claimed
US-4766220-A REACTING OPTICALLY ACTIVE ALKALI METAL SALTS OF 2-HALOGENOALKANOIC ACIDS AND PHENOLS IN WATER WITH HEATING AT REDUCED PRESSURE RHONE-POULENC AGROCHIMIE (FR) 1988-08-23 US claimed
US-4129722-A Process for the preparation of high D. S. polysaccharides NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1978-12-12 US claimed
US-4048435-A Method for the preparation of highly substituted granular starches NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1977-09-13 US claimed