SCHEMBL543202

SCHEMBL543202

NCC(CC(=O)[O-])(CC(=O)[O-])NCC(=O)OCCO.[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
SCHEMBL1766196 0.84 KDM4E (0.32)
SCHEMBL1766168 0.83 KDM4E (0.31)
SCHEMBL5698427 0.78 CA4 (0.37)
SCHEMBL5514879 0.72 KDM4E (0.34)
SCHEMBL8109080 0.70 FABP3 (0.37)
SCHEMBL8107139 0.70 FABP3 (0.37)
SCHEMBL8948227 0.70 CA1 (0.35)
SCHEMBL11348835 0.70 CA1 (0.35)
Water SCHEMBL11884552 0.68 CA1 (0.34)
SCHEMBL9169464 0.67 GAA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150605-A1 PRETREATMENT LIQUID FOR INKJET TEXTILE PRINTING, INK SET, AND TEXTILE PRINTING METHOD NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4303006-A1 PRETREATMENT LIQUID FOR INKJET PRINTING, INK SET, AND PRINTING METHOD Nippon Kayaku Kabushiki Kaisha (JP) 2024-01-10 EP disclosed
US-20230375937-A1 SUBSTRATE PROCESSING COMPOSITION AND SUBSTRATE PROCESSING METHOD USING THE SAME SK INC. (KR) 2023-11-23 US disclosed
US-20230367223-A1 SUBSTRATE PROCESSING COMPOSITION AND SUBSTRATE PROCESSING METHOD USING THE SAME SK INC. (KR) 2023-11-16 US disclosed
US-20220220327-A1 COLORED DISPERSION, RECORDING MEDIUM, AND TEXTILE PRINTING METHOD FOR HYDROPHOBIC FIBERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2022-07-14 US disclosed
US-20220204786-A1 COLORED DISPERSION, RECORDING MEDIUM, AND HYDROPHOBIC FIBER PRINTING METHOD NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2022-06-30 US disclosed
US-20220195225-A1 COLORED DISPERSION, RECORDING MEDIUM, AND HYDROPHOBIC FIBER PRINTING METHOD NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2022-06-23 US disclosed
EP-3988619-A1 COLORED DISPERSION, RECORDING MEDIUM, AND TEXTILE PRINTING METHOD FOR HYDROPHOBIC FIBERS Nippon Kayaku Kabushiki Kaisha (JP) 2022-04-27 EP disclosed
US-20220059345-A1 METHOD OF MANUFACTURING INTEGRATED CIRCUIT DEVICE USING A METAL-CONTAINING PHOTORESIST COMPOSITION SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-02-24 US disclosed
EP-3950859-A1 COLORED DISPERSION, RECORDING MEDIUM, AND HYDROPHOBIC FIBER PRINTING METHOD Nippon Kayaku Kabushiki Kaisha (JP) 2022-02-09 EP disclosed
US-20030038869-A1 Aqueous recording liquid, recording method and apparatus using same RICOH COMPANY, LTD. (JP) 2003-02-27 US disclosed
US-20020135650-A1 Recording liquid, inkjet recording method and recording equipment using the same HONDA RESEARCH INSTITUTE EUROPE GMBH (DE) 2002-09-26 US disclosed
EP-1243625-A1 Aqueous recording liquid, recording method and apparatus using same Ricoh Company, Ltd. (JP) 2002-09-25 EP disclosed
EP-1213331-A1 Recording liquid, recording cartridge, recording method, recording apparatus and recording medium Ricoh Company, Ltd. (JP) 2002-06-12 EP disclosed
EP-1213332-A1 Recording liquid, ink jet recording method and recording equipment using the same Ricoh Company, Ltd. (JP) 2002-06-12 EP disclosed
US-6143062-A CAN PRODUCE A PRINTED IMAGE WITH FULL DEPTH OF SHADE AND ARE EXCELLENT IN RESISTANCE TO WATER, STORAGE STABILITY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
EP-0928815-A1 WATER-SOLUBLE DISAZO COMPOUNDS, WATER-BASE INK COMPOSITION, AND COLORED OBJECT Nippon Kayaku Kabushiki Kaisha (JP) 1999-07-14 EP disclosed
US-5736286-A SWELLING TO WEAKEN ADHESION BETWEEN THE DEPOSITED IMAGES AND RECORDING MATERIAL RICOH COMPANY, LTD. (JP) 1998-04-07 US disclosed
US-5514208-A Aqueous ink and method for recording image with the aqueous ink RICOH COMPANY, LTD. (JP) 1996-05-07 US disclosed
US-4237235-A METALLIC SALTS OF AMINO POLYCARBOXYLIC ACIDS ALLOWS EASIER EXPANSION OF CLOSED CELL FOAMS WITHOUT COLLAPSE OR SHRINKAGE MAZZUCCO ROSALBA 1980-12-02 US disclosed