Sugi Predict

Sugi Predict / Compounds / Water

Water

Water

SCHEMBL221948

O.O.O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Ba+2].[Ba+2].[Ca+2].[Ca+2].[K+].[K+].[Na+].[Na+]

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
Water SCHEMBL224935 0.96 — —
Water SCHEMBL130207 0.96 — —
Water SCHEMBL223306 0.92 — —
Water SCHEMBL222709 0.92 — —
Water SCHEMBL222724 0.92 — —
Water SCHEMBL222695 0.92 — —
Water SCHEMBL222476 0.91 — —
Water SCHEMBL921992 0.91 — —
Water SCHEMBL220755 0.91 — —
Water SCHEMBL226049 0.91 — —

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006047812-A1 WATER TREATMENT HURSTWELL PTY LIMITED (AU) 2006-05-11 — — WO claimed
WO-2005095534-A2 FLUID LOSS ADDITIVES FOR CEMENT SLURRIES HALLIBURTON ENERGY SERVICES, INC. (US) 2005-10-13 — — WO claimed
US-20040244977-A1 Fluid loss additives for cement slurries HALLIBURTON ENERGY SERVICES, INC. 2004-12-09 — — US claimed
US-20200246757-A1 NANOCOMPOSITE MEMBRANES AND METHODS OF MAKING AND USING SAME UNIV CALIFORNIA (US) 2020-08-06 — — US disclosed
US-10618013-B2 Nanocomposite membranes and methods of making and using same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-04-14 — — US disclosed
EP-2465910-B1 Cement compositions and methods utilizing nano-hydraulic cement HALLIBURTON ENERGY SERVICES INC (US) 2018-07-11 — — EP disclosed
US-10005949-B2 Cement compositions and methods utilizing nano-hydraulic cement HALLIBURTON ENERGY SERVICES, INC. (US) 2018-06-26 — — US disclosed
US-20170073568-A1 Cement Compositions and Methods Utilizing Nano-Hydraulic Cement HALLIBURTON ENERGY SERVICES, INC. (US) 2017-03-16 — — US disclosed
US-9512346-B2 Cement compositions and methods utilizing nano-hydraulic cement HALLIBURTON ENERGY SERVICES, INC. (US) 2016-12-06 — — US disclosed
EP-3002323-A1 SETTABLE COMPOSITIONS COMPRISING CEMENT KILN DUST AND ADDITIVE(S) AND METHOD OF USING THEM Halliburton Energy Services, Inc. (US) 2016-04-06 — — EP disclosed
EP-1928975-B1 SETTABLE COMPOSITION COMPRISING CEMENT KILN DUST AND ADDITIVES HALLIBURTON ENERGY SERVICES INC (US) 2015-11-04 — — EP disclosed
US-20050072599-A1 Zeolite-containing remedial compositions HALLIBURTON ENERGY SERVICES, INC. 2005-04-07 — — US disclosed
WO-2005014754-A1 ZEOLITE-CONTAINING TREATING FLUID HALLIBURTON ENERGY SERVICES, INC. (US) 2005-02-17 — — WO disclosed
US-20050000734-A1 Zeolite-containing drilling fluids HALLIBURTON ENERGY SERVICES, INC. 2005-01-06 — — US disclosed
US-20040244977-A1 Fluid loss additives for cement slurries HALLIBURTON ENERGY SERVICES, INC. 2004-12-09 — — US disclosed
US-20040188092-A1 Zeolite compositions having enhanced compressive strength HILLIBURTON ENERGY SERVICES, INC. 2004-09-30 — — US disclosed
US-20040188091-A1 Zeolite-containing settable spotting fluids HALLIBURTON ENERGY SERVICES, INC. 2004-09-30 — — US disclosed
US-20040112600-A1 Zeolite-containing cement composition HALLIBURTON ENERGY SERVICES, INC. 2004-06-17 — — US disclosed
US-20040108113-A1 Zeolite-containing treating fluid HALLIBURTON ENERGY SERVICES, INC. 2004-06-10 — — US disclosed
WO-2002099824-A2 NANOTUBE DEPOSITION ON ADSORBENTS IN WATER MAKER HEAT PUMP ZORNES DAVID A (US) 2002-12-12 — — WO disclosed