SCHEMBL131346

SCHEMBL131346

C=CCC(CC=C)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.[Na+].[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
SCHEMBL7198451 0.97
Potassium Ion SCHEMBL9940177 0.97
Lithium Ion SCHEMBL7968674 0.97
SCHEMBL10711369 0.87
Potassium Ion SCHEMBL10714712 0.84
SCHEMBL10707451 0.83 CA2 (0.35)
SCHEMBL1547924 0.83 CA2 (0.35)
Potassium Ion SCHEMBL10748159 0.80 CA2 (0.32)
SCHEMBL3321509 0.78 FABP3 (0.39)
SCHEMBL33345 0.77 CYP3A4 (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

Appears in 2033 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124999-A1 NICKEL ELECTROPLATING COMPOSITIONS FOR ROUGH NICKEL U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-04-18 US claimed
US-20240117516-A1 NICKEL ELECTROPLATING COMPOSITIONS FOR ROUGH NICKEL U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-04-11 US claimed
EP-4343039-A1 NICKEL ELECTROPLATING COMPOSITIONS FOR ROUGH NICKEL Rohm and Haas Electronic Materials LLC (US) 2024-03-27 EP claimed
EP-4343038-A1 NICKEL ELECTROPLATING COMPOSITIONS FOR ROUGH NICKEL Rohm and Haas Electronic Materials LLC (US) 2024-03-27 EP claimed
CN-117471095-A Urine drug detection box and detection method thereof 深圳市绿诗源生物技术有限公司 2024-01-30 CN claimed
US-11791459-B2 Electrochemically active materials and methods of preparing the same ENEVATE CORPORATION (US) 2023-10-17 US claimed
EP-4211732-A1 ELECTROCHEMICAL CELLS, COMPONENTS THEREOF, AND METHODS OF THEIR MANUFACTURE Alsym Energy, Inc. (US) 2023-07-19 EP claimed
CN-111505274-B Preparation method of single-component TMB color developing solution for enzyme-linked immune reaction 武汉生命起源科技有限公司 2023-06-20 CN claimed
CN-115703954-A Water-dispersible adhesive composition 日东电工株式会社 2023-02-17 CN claimed
US-20230047269-A1 WATER-DISPERSED PRESSURE-SENSITIVE ADHESIVE COMPOSITION NITTO DENKO CORPORATION (JP) 2023-02-16 US claimed
EP-0268042-A2 Rust preventive coating composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-05-25 EP claimed
US-4742137-A Polymer particles and process for producing the same JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1988-05-03 US claimed
EP-0155208-B1 SURFACTANT COMPOSITIONS, PARTICULARLY USEFUL IN DISPERSING AN OIL SLICK ON A WATER SURFACE Institut Français du Pétrole (FR) 1987-09-02 EP claimed
EP-0170456-A1 Polymer particles and process for producing the same JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1986-02-05 EP claimed
EP-0019894-B1 MAGNETIC RECORDING MEDIUM AND PROCESS FOR ITS PREPARATION Hitachi Maxell Ltd. (JP) 1983-08-24 EP claimed
US-4299882-A DIALKLYSULFOSUCCINATE COATING ON MAGNETIC PARTICLES HITACHI MAXELL, LTD. (JP) 1981-11-10 US claimed
EP-0019894-A1 Magnetic recording medium and process for its preparation Hitachi Maxell Ltd. (JP) 1980-12-10 EP claimed
US-4214064-A SULFUR COMPOUND AS HEAT STABILIZER, ANIONIC OR NONIONIC SURFACTANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-07-22 US claimed
US-4087505-A FORMING A FILM WITH TACKIFIER, AGING MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-05-02 US claimed
US-4001159-A Aqueous dispersion of olefin-acrylate copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-04 US claimed