SCHEMBL5354734

SCHEMBL5354734

O=C([O-])C(O)(O)CCl.[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
SCHEMBL9321569 0.71
SCHEMBL1889336 0.71
SCHEMBL7603816 0.71 CA4 (0.62)
SCHEMBL6257440 0.69
SCHEMBL19615558 0.69 CA4 (0.40)
SCHEMBL7969654 0.69 CA4 (0.59)
SCHEMBL1879743 0.67
SCHEMBL11489802 0.67
SCHEMBL30541662 0.66
Bicarbonate SCHEMBL5727512 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069569-A1 Oat Lipid Extract OAT SERVICES LTD (GB) 2020-03-05 US disclosed
WO-2018158572-A1 OAT LIPID EXTRACT OAT SERVICES LTD (GB) 2018-09-07 WO disclosed
US-7163674-B2 Personal care compositions comprising a dicarboxy functionalized polyorganosiloxane THE PROCTER & GAMBLE COMPANY (US) 2007-01-16 US disclosed
EP-1505947-A1 PERSONAL CARE COMPOSITIONS COMPRISING A DICARBOXY FUNCTIONALIZED POLYORGANOSILOXANE THE PROCTER & GAMBLE COMPANY (US) 2005-02-16 EP disclosed
WO-2003094871-A1 PERSONAL CARE COMPOSITIONS COMPRISING A DICARBOXY FUNCTIONALIZED POLYORGANOSILOXANE THE PROCTER & GAMBLE COMPANY (US) 2003-11-20 WO disclosed
US-20030211057-A1 Personal care compositions comprising a dicarboxy functionalized polyorganosiloxane THE PROCTER & GAMBLE COMPANY 2003-11-13 US disclosed