Water

Water

SCHEMBL17865378

O.O.[LiH].[NaH]

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 SCHEMBL2537330 1.00
Water SCHEMBL28235539 1.00
Water SCHEMBL28112087 0.87
Water SCHEMBL28635128 0.87
Water SCHEMBL5971134 0.87
Hydrochloric Acid SCHEMBL27632959 0.87
Water SCHEMBL22800798 0.87
Water SCHEMBL19712099 0.87
SCHEMBL10705348 0.82
Water SCHEMBL1983786 0.82

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
EP-3037496-B1 LATENT HEAT TRANSFER MATERIAL MICRO-ENCAPSULATED IN HARD SHELL, AND PRODUCTION METHOD FOR SAME UNIV KOBE NAT UNIV CORP (JP) 2020-05-06 EP claimed
EP-4684041-A1 RECOVERY OF LI-SALTS FROM ORES K-UTEC AG Salt Technologies (DE) 2026-01-28 EP disclosed
WO-2024194688-A1 RECOVERY OF LI-SALTS FROM ORES K-UTEC AG SALT TECHNOLOGIES (DE) 2024-09-26 WO disclosed
EP-4435121-A1 RECOVERY OF LI-SALTS FROM ORES K-UTEC AG Salt Technologies (DE) 2024-09-25 EP disclosed
CN-109843982-B Reactive siloxanes and process for their preparation 瓦克化学股份公司 2021-11-19 CN disclosed
EP-3037496-B1 LATENT HEAT TRANSFER MATERIAL MICRO-ENCAPSULATED IN HARD SHELL, AND PRODUCTION METHOD FOR SAME UNIV KOBE NAT UNIV CORP (JP) 2020-05-06 EP disclosed
US-10442968-B2 Latent heat transfer material micro-encapsulated in hard shell, and production method for same NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2019-10-15 US disclosed
CN-109843982-A Reactive siloxanes and process for their preparation 瓦克化学股份公司 2019-06-04 CN disclosed
US-20160251557-A1 LATENT HEAT TRANSFER MATERIAL MICRO-ENCAPSULATED IN HARD SHELL, AND PRODUCTION METHOD FOR SAME NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2016-09-01 US disclosed
CN-105905914-A Preparation method of ultrahigh modulus silicate 苏州吉人高新材料股份有限公司 2016-08-31 CN disclosed
EP-3037496-A1 LATENT HEAT TRANSFER MATERIAL MICRO-ENCAPSULATED IN HARD SHELL, AND PRODUCTION METHOD FOR SAME National University Corporation Kobe University (JP) 2016-06-29 EP disclosed
CN-1487928-A Compound (I) 2004-04-07 CN disclosed