Water

Water

SCHEMBL2364096

C=CC(O)C(=C)C(N)(C(O)C=C)C(O)C=C.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
SCHEMBL2363677 0.98
Ammonia Solution, Strong SCHEMBL16531891 0.70
SCHEMBL9435789 0.70
SCHEMBL1359275 0.66
SCHEMBL3519315 0.66
SCHEMBL1082877 0.62
SCHEMBL15272666 0.61
SCHEMBL465400 0.57
SCHEMBL132526 0.57
SCHEMBL19127443 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9476019-B2 Cleaning agent for semiconductor provided with metal wiring ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2016-10-25 US claimed
WO-2016069576-A1 NON-AMINE POST-CMP COMPOSITIONS AND METHOD OF USE ENTEGRIS, INC. (US) 2016-05-06 WO claimed
US-20150259632-A1 CLEANING AGENT FOR SEMICONDUCTOR PROVIDED WITH METAL WIRING TRUIST BANK, AS NOTES COLLATERAL AGENT 2015-09-17 US claimed
US-9803161-B2 Cleaning agent for semiconductor substrates and method for processing semiconductor substrate surface WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-9476019-B2 Cleaning agent for semiconductor provided with metal wiring ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2016-10-25 US disclosed
WO-2016069576-A1 NON-AMINE POST-CMP COMPOSITIONS AND METHOD OF USE ENTEGRIS, INC. (US) 2016-05-06 WO disclosed
US-20150259632-A1 CLEANING AGENT FOR SEMICONDUCTOR PROVIDED WITH METAL WIRING TRUIST BANK, AS NOTES COLLATERAL AGENT 2015-09-17 US disclosed
US-9045717-B2 Cleaning agent for semiconductor provided with metal wiring ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2015-06-02 US disclosed
US-20150140820-A1 CLEANING AGENT FOR SEMICONDUCTOR SUBSTRATES AND METHOD FOR PROCESSING SEMICONDUCTOR SUBSTRATE SURFACE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-21 US disclosed
EP-2843689-A1 CLEANING AGENT FOR SEMICONDUCTOR SUBSTRATES AND METHOD FOR PROCESSING SEMICONDUCTOR SUBSTRATE SURFACE Wako Pure Chemical Industries, Ltd. (JP) 2015-03-04 EP disclosed
US-20130203643-A1 CLEANING AGENT FOR SEMICONDUCTOR PROVIDED WITH METAL WIRING ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2013-08-08 US disclosed
WO-2011094568-A2 CLEANING AGENT FOR SEMICONDUCTOR PROVIDED WITH METAL WIRING ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2011-08-04 WO disclosed