Water

Water

SCHEMBL1781386

CC(CO)(CO)CO.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
Water SCHEMBL7755978 1.00 TSHR (0.32)
SCHEMBL9290864 0.95
SCHEMBL821088 0.95 ALDH1A1 (0.33)
SCHEMBL17158347 0.95 ALDH1A1 (0.33)
SCHEMBL15314 0.95
SCHEMBL25271366 0.91
SCHEMBL28548663 0.91
SCHEMBL28560964 0.91
SCHEMBL28545560 0.91
Lithium SCHEMBL30432532 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7942145-B2 Rechargeable self-heating food container TORSETH, MORRIS 2011-05-17 US claimed
US-20080251063-A1 Rechargeable self-heating food container TORSETH, MORRIS 2008-10-16 US claimed
US-20040065314-A1 Apparatus, systems, and methods for warming materials GMP SURGICAL SOLUTIONS, INC. 2004-04-08 US claimed
EP-1301152-A2 APPARATUS, SYSTEMS, AND METHODS FOR WARMING MATERIALS GMP/Surgical Solutions Inc. (US) 2003-04-16 EP claimed
US-20020043260-A1 Apparatus, systems, and methods for warming materials GMP SURGICAL SOLUTIONS, INC. 2002-04-18 US claimed
WO-2002007656-A2 APPARATUS, SYSTEMS, AND METHODS FOR WARMING MATERIALS GMP/SURGICAL SOLUTIONS, INC. (US) 2002-01-31 WO claimed
WO-1994002082-A2 REUSABLE HEAT RELEASING PACK NOVA DESIGN PARTNERS, L.P. (US) 1994-02-03 WO claimed
US-5275156-A Reusable heat releasing pack NOVA DESIGN PARTNERS, L.P. (US) 1994-01-04 US claimed
US-4702853-A Phase change thermal energy storage material THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY (US) 1987-10-27 US claimed
CN-110048518-B Power receiving device and power transmission system 索尼公司 2023-07-18 CN disclosed
CN-108353519-B Electronic device 索尼公司 2020-11-24 CN disclosed
US-10734829-B2 Electronic apparatus, method of controlling electronic apparatus, power reception device, electric device, and system SONY CORPORATION (JP) 2020-08-04 US disclosed
US-10564524-B2 Electronic apparatus SONY CORPORATION (JP) 2020-02-18 US disclosed
US-10560615-B2 Electronics apparatus SONY CORPORATION (JP) 2020-02-11 US disclosed
EP-0365609-B1 NUCLEATING CRYSTALLIZATION OF UNDERCOOLED MATERIALS BENSON, David K. (US) 1993-08-25 EP disclosed
EP-0365609-A4 NUCLEATING CRYSTALLIZATION OF UNDERCOOLED MATERIALS. BENSON DAVID (US) 1990-06-26 EP disclosed
EP-0365609-A1 NUCLEATING CRYSTALLIZATION OF UNDERCOOLED MATERIALS. BENSON DAVID (US) 1990-05-02 EP disclosed
WO-1989008228-A1 NUCLEATING CRYSTALLIZATION OF UNDERCOOLED MATERIALS BENSON DAVID (US) 1989-09-08 WO disclosed
US-4860729-A Method and apparatus for nucleating the crystallization of undercooled materials MIDWEST RESEARCH INSTITUTE (US) 1989-08-29 US disclosed
US-4702853-A Phase change thermal energy storage material THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY (US) 1987-10-27 US disclosed