Water

Water

SCHEMBL501966

ClCC1CO1.ClCC1CO1.O

nearest known ligand 0.93

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.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.93
TDP1 Q9NUW8 1/20 0.93
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
HBB P68871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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 SCHEMBL29802904 1.00
SCHEMBL3701513 0.96 ALDH1A1 (1.00) ALDH1A1TDP1TSHRTP53HBB
SCHEMBL117455 0.96
SCHEMBL118159 0.96
SCHEMBL31018802 0.96
SCHEMBL17976 0.96
Hydroxyl Radical SCHEMBL16714478 0.93
Hydrochloric Acid SCHEMBL3422900 0.93
SCHEMBL15662728 0.93
Ammonia Solution, Strong SCHEMBL5581941 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112992-A2 SEALANT MATERIAL ZEPHYROS, INC. (US) 2008-09-18 WO claimed
US-20070088138-A1 EPOXY/ELASTOMER ADDUCT, METHOD OF FORMING SAME AND MATERIALS AND ARTICLES FORMED THEREWITH L&L PRODUCTS, INC. (US) 2007-04-19 US claimed
EP-1599527-A2 EPOXY/ELASTOMER ADDUCT, METHOD OF FORMING SAME AND MATERIALS AND ARTICLES FORMED THEREWITH L & L Products, Inc. (US) 2005-11-30 EP claimed
US-20040204551-A1 Epoxy/elastomer adduct, method of forming same and materials and articles formed therewith L&L PRODUCTS, INC. 2004-10-14 US claimed
WO-2004078853-A2 EPOXY/ELASTOMER ADDUCT, METHOD OF FORMING SAME AND MATERIALS AND ARTICLES FORMED THEREWITH L & L PRODUCTS, INC. (US) 2004-09-16 WO claimed
US-6323264-B1 EPOXY RESIN OF BISPHENOL-EPICHLOROHYDRIN COPOLYMER WITH DIGLYCIDYLANILINE COMPOUND, STRONTIUM CHROMATE, GLASS AND POLYTETRAFLUOROETHYLENE TURBINE CONTROLS, INC. 2001-11-27 US claimed
US-6090869-A Self-lubricating coating composition of epoxy resins, polytetrafluoroethylene, MoS2 and mica TURBINE CONTROLS, INC. (US) 2000-07-18 US claimed
US-3933425-A Method of cleaning textiles HENKEL & CIE GMBH (DT) 1976-01-20 US claimed
EP-3807337-B1 TOUGHENED EPOXY COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-06-12 EP disclosed
CN-113910724-B Discontinuous net structure 泽菲罗斯有限公司 2024-06-11 CN disclosed
US-20240150618-A1 Seal Coated Devices ZEPHYROS, INC. 2024-05-09 US disclosed
US-20240140537-A1 Reinforcement Devices ZEPHYROS, INC. 2024-05-02 US disclosed
CN-115947702-B Preparation method of octyl glycidyl ether 江苏扬农锦湖化工有限公司 2024-04-12 CN disclosed
US-20240093069-A1 Activatable Polymer Composition Comprising At Least Two Carboxylic Acids as Blowing Agent ZEPHYROS, INC. 2024-03-21 US disclosed
US-4438178-A COATED WITH EPICHLOROHYDRIN ETHER OR ESTER FIBER INDUSTRIES, INC. (US) 1984-03-20 US disclosed
US-4438178-A COATED WITH EPICHLOROHYDRIN ETHER OR ESTER FIBER INDUSTRIES, INC. (US) 1984-03-20 US disclosed
US-4139478-A Polychlorohydrin ethers of tris-(hydroxymethyl)-aminomethane in association with polyglycol diamines SANDOZ LTD. (CH) 1979-02-13 US disclosed
US-4059631-A Polychlorohydrin ethers of tris-(hydroxymethyl)-aminomethane SANDOZ LTD. (CH) 1977-11-22 US disclosed
US-3987231-A METHOD OF ANTISTATICALLY TREATING FIBROUS MATERIALS SANDOZ LTD. (CH) 1976-10-19 US disclosed
US-3933425-A Method of cleaning textiles HENKEL & CIE GMBH (DT) 1976-01-20 US disclosed