SCHEMBL2948510

SCHEMBL2948510

CC(C)C(C(=O)[O-])(C(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
SCHEMBL670699 0.73
Potassium Ion SCHEMBL26103329 0.69
SCHEMBL2992792 0.64 CYP3A4 (0.30)
SCHEMBL30360252 0.63 TSHR (0.40)
Lithium Ion SCHEMBL5014293 0.61 CA2 (0.31)
SCHEMBL21269234 0.60 CA2 (0.39)
SCHEMBL29020430 0.60 ALDH1A1 (0.33)
L-Lactic Acid SCHEMBL20168663 0.59
L-Lactic Acid SCHEMBL2580452 0.58 TP53 (0.40)
Silver SCHEMBL17797176 0.58 CA2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7758684-B2 Ink additive and ink using same NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-20 US claimed
US-20070283845-A1 Ink additive and ink using same NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-13 US claimed
US-8632881-B2 Glass fiber product NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2014-01-21 US disclosed
US-7758684-B2 Ink additive and ink using same NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-20 US disclosed
US-20090136764-A1 GLASS FIBER PRODUCT MIZUSAKI TORU 2009-05-28 US disclosed
EP-1897924-B1 Protective coating containing acetylene compound NISSIN CHEMICAL IND (JP) 2009-05-06 EP disclosed
US-20080063852-A1 Protective coating containing acetylene compound NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2008-03-13 US disclosed
EP-1897924-A1 Protective coating containing acetylene compound Nissin Chemical Industry Co., Ltd. (JP) 2008-03-12 EP disclosed
US-20070283845-A1 Ink additive and ink using same NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-13 US disclosed