Water

Water

SCHEMBL525261

O.OC(F)(F)CF

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
SCHEMBL7111729 0.95
SCHEMBL9852 0.95
Fluoride SCHEMBL28237477 0.91
SCHEMBL18759839 0.91
SCHEMBL28211644 0.91
Bromide SCHEMBL28366174 0.91
SCHEMBL27693680 0.91
Hydrochloric Acid SCHEMBL12492362 0.91
SCHEMBL28048889 0.91
Ammonia Solution, Strong SCHEMBL28014971 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107106551-A The stabilization of receptor tyrosine kinase inhibitors and solvable preparation and its preparation method 弗赛特影像4股份有限公司 2017-08-29 CN claimed
EP-0365403-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHANOL RHONE-POULENC CHIMIE (FR) 1992-10-28 EP claimed
CN-114752408-B Method and system for removing oxygen-containing compound in Fischer-Tropsch synthetic oil 中国石油天然气股份有限公司 2024-03-26 CN disclosed
US-20220388963-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS INC (US) 2022-12-08 US disclosed
US-20220289785-A1 NOVEL TETRAGALNAC AND PEPTIDE CONTAINING CONJUGATES AND METHODS FOR DELIVERY OF OLIGONUCLEOTIDES BANK OF AMERICA, N.A. 2022-09-15 US disclosed
CN-114752408-A Method and system for removing oxygen-containing compounds in Fischer-Tropsch synthesis oil 中国石油天然气股份有限公司 2022-07-15 CN disclosed
US-11261213-B2 Crystalline bis- and tris-hydrochloride salt of elamipretide STEALTH BIOTHERAPEUTICS INC. (US) 2022-03-01 US disclosed
US-11117917-B2 Tetragalnac and peptide containing conjugates and methods for delivery of oligonucleotides SIRNA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
US-11034657-B2 Liver X receptor (LXR) modulators ELLORA THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210061853-A1 CRYSTALLINE BIS- AND TRIS-HYDROCHLORIDE SALT OF ELAMIPRETIDE STEALTH BIOTHERAPEUTICS INC. 2021-03-04 US disclosed
EP-3284757-B1 METHOD OF PRODUCING SHORT-CHAIN PEPTIDE IMMOBILIZATION CARRIER AND SHORT-CHAIN PEPTIDE IMMOBILIZATION CARRIER FUJIFILM CORP (JP) 2020-11-11 EP disclosed
EP-0365655-A1 BIOELASTOMERIC MATERIALS SUITABLE FOR THE PROTECTION OF WOUND REPAIR SITES FROM THE OCCURRENCE OF ADHESIONS. UAB RESEARCH FOUNDATION (US) 1990-05-02 EP disclosed
EP-0302892-A4 SEGMENTED POLYPEPTIDE BIOELEASTOMERS TO MODULATE ELASTIC MODULUS. UNIV ALABAMA (US) 1990-04-10 EP disclosed
EP-0345867-A1 Novel synthetic, immunologically active peptides useful for the preparation of antimalarial vaccines ENIRICERCHE S.p.A. (IT) 1989-12-13 EP disclosed
WO-1989010100-A1 ELASTOMERIC POLYPEPTIDES AS VASCULAR PROSTHETIC MATERIALS UAB RESEARCH FOUNDATION (US) 1989-11-02 WO disclosed
WO-1989010099-A1 BIOELASTOMERIC MATERIALS SUITABLE FOR THE PROTECTION OF WOUND REPAIR SITES FROM THE OCCURRENCE OF ADHESIONS UAB RESEARCH FOUNDATION (US) 1989-11-02 WO disclosed
US-4870055-A Segmented polypeptide bioelastomers to modulate elastic modulus UNIVERSITY OF ALABAMA AT BIRMINGHAM (US) 1989-09-26 US disclosed
EP-0302892-A1 SEGMENTED POLYPEPTIDE BIOELEASTOMERS TO MODULATE ELASTIC MODULUS. UNIV ALABAMA (US) 1989-02-15 EP disclosed
WO-1987006238-A1 SEGMENTED POLYPEPTIDE BIOELEASTOMERS TO MODULATE ELASTIC MODULUS UNIVERSITY OF ALABAMA AT BIRMINGHAM (US) 1987-10-22 WO disclosed
US-4232525-A 2,2,3,3-TETRAFLUOROPROPANOL AND WATER FORM AN AZEOTROPIC- LIKE COMPOSITION DAIKIN KOGYO CO. LTD. (JP) 1980-11-11 US disclosed