Water

Water

SCHEMBL2852323

CCC(C)(C)ON.O

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. 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
SCHEMBL7099759 0.97
SCHEMBL18117693 0.73 TSHR (0.35)
Water SCHEMBL7275620 0.72 TSHR (0.53)
Water SCHEMBL28075077 0.72 TSHR (0.53)
Water SCHEMBL22581155 0.72 TSHR (0.53)
SCHEMBL24116092 0.72 ALDH1A1 (0.30)
SCHEMBL1508381 0.71
SCHEMBL28088435 0.71
Water SCHEMBL20578221 0.69 TSHR (0.93)
SCHEMBL19050157 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695637-B2 Slurry composition for chemical mechanical polishing and precursor composition thereof CHEIL INDUSTRIES INC. (KR) 2010-04-13 US claimed
EP-1570512-B1 SLURRY COMPOSITION FOR SECONDARY POLISHING OF SILICON WAFER CHEIL IND INC (KR) 2010-01-13 EP claimed
US-7534277-B2 Slurry composition for secondary polishing of silicon wafer CHEIL INDUSTRIES, INC. (KR) 2009-05-19 US claimed
US-20080121839-A1 Slurry Composition for Chemical Mechanical Polishing and Precursor Composition Thereof CHEIL INDUSTRIES INC. 2008-05-29 US claimed
EP-1570512-A4 SLURRY COMPOSITION FOR SECONDARY POLISHING OF SILICON WAFER CHEIL IND INC (KR) 2007-05-09 EP claimed
US-20060242912-A1 Slurry composition for secondary polishing of silicon wafer CHEIL INDUSTRIES, INC. (KR) 2006-11-02 US claimed
EP-1570512-A1 SLURRY COMPOSITION FOR SECONDARY POLISHING OF SILICON WAFER Cheil Industries Inc. (KR) 2005-09-07 EP claimed
WO-2004053968-A1 SLURRY COMPOSITION FOR SECONDARY POLISHING OF SILICON WAFER CHEIL INDUSTRIES INC. (KR) 2004-06-24 WO claimed
US-7695637-B2 Slurry composition for chemical mechanical polishing and precursor composition thereof CHEIL INDUSTRIES INC. (KR) 2010-04-13 US disclosed
EP-1570512-B1 SLURRY COMPOSITION FOR SECONDARY POLISHING OF SILICON WAFER CHEIL IND INC (KR) 2010-01-13 EP disclosed
US-7534277-B2 Slurry composition for secondary polishing of silicon wafer CHEIL INDUSTRIES, INC. (KR) 2009-05-19 US disclosed
US-20080121839-A1 Slurry Composition for Chemical Mechanical Polishing and Precursor Composition Thereof CHEIL INDUSTRIES INC. 2008-05-29 US disclosed
US-20060242912-A1 Slurry composition for secondary polishing of silicon wafer CHEIL INDUSTRIES, INC. (KR) 2006-11-02 US disclosed