SCHEMBL6508310

SCHEMBL6508310

CC[O-].CC[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
SCHEMBL677 1.00
SCHEMBL29494622 1.00 ALDH1A1 (0.30)
SCHEMBL28572070 1.00 ALDH1A1 (0.30)
Phosphine SCHEMBL38660669 0.94
SCHEMBL4829494 0.94
Water SCHEMBL31341811 0.94
Water SCHEMBL11545002 0.94
Lithium Ion SCHEMBL21384946 0.94
Hydrochloric Acid SCHEMBL3703847 0.94
SCHEMBL29290510 0.94

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858620-A Antimicrobial combinations 西姆莱斯有限公司 2024-04-09 CN claimed
CN-114634602-B Preparation method of hyperbranched solid polycarboxylate superplasticizer 济南城建集团有限公司 2022-07-29 CN claimed
CN-114634602-A Hyperbranched solid polycarboxylic acid water reducing agent and preparation method thereof 济南城建集团有限公司 2022-06-17 CN claimed
CN-119069952-A Separator, sodium ion battery, battery module, battery pack and electricity utilization device 宁德时代新能源科技股份有限公司 2024-12-03 CN disclosed
CN-117858620-A Antimicrobial combinations 西姆莱斯有限公司 2024-04-09 CN disclosed
CN-114634602-B Preparation method of hyperbranched solid polycarboxylate superplasticizer 济南城建集团有限公司 2022-07-29 CN disclosed
CN-111732343-B Strengthened glass product, preparation method thereof and electronic equipment 万津实业(赤壁)有限公司 2022-07-08 CN disclosed
CN-114634602-A Hyperbranched solid polycarboxylic acid water reducing agent and preparation method thereof 济南城建集团有限公司 2022-06-17 CN disclosed
CN-113292440-A Preparation method of N, N-diisopropylethylenediamine and preparation method of pramiperacetam monohydrate 浙江朗华制药有限公司 2021-08-24 CN disclosed
CN-109988076-A Levothyroxine sodium impurity and preparation thereof 上海葆隆生物科技有限公司 2019-07-09 CN disclosed
WO-2014024125-A1 PYRAZOLO[4,3-D]PYRIMIDIN-7(6H)-ONE DERIVATIVES AS PDE9 INHIBITORS CELON PHARMA S.A. (PL) 2014-02-13 WO disclosed
WO-2005030738-A1 IMPROVED PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE PREPARATION OF ZONISAMIDE SUVEN LIFE SCIENCES LIMITED (IN) 2005-04-07 WO disclosed
US-6013663-A CATARACT THERAPY OR PREVENTION SANKYO COMPANY, LIMITED (JP) 2000-01-11 US disclosed
EP-0483683-B1 Thienoimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-02-28 EP disclosed
US-5463073-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-31 US disclosed
EP-0483683-A2 Thienoimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-06 EP disclosed