Water

Water

SCHEMBL992495

Cl[Zr](Cl)(Cl)Cl.O.[AlH3]

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 SCHEMBL28599754 1.00
Water SCHEMBL28587451 1.00
Water SCHEMBL28596446 1.00
Water SCHEMBL28601774 1.00
Water SCHEMBL29797570 0.91
Water SCHEMBL29199622 0.91
Water SCHEMBL29116163 0.91
Water SCHEMBL6455241 0.91
Water SCHEMBL29797590 0.91
Water SCHEMBL29797597 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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120129464-A Flavonoid compound and application thereof 弗门尼舍有限公司 2025-06-10 CN disclosed
CN-114650803-B Cosmetic composition in the form of compacted, impact-resistant powder 化工产品开发公司SEPPIC 2025-03-14 CN disclosed
CN-119604269-A Composition for enhancing cooling effect 弗门尼舍公司 2025-03-11 CN disclosed
CN-112969920-B Method for assessing the ability of a substance or composition to prevent, slow or eliminate signs of skin or lips aging 化工产品开发公司SEPPIC 2025-02-11 CN disclosed
CN-119185121-A Composition containing aluminum zirconium tetrachlorohydroxide GLY coordination compound and having antibacterial, deodorizing and antiperspirant effects and application thereof 广州特努斯化工有限公司 2024-12-27 CN disclosed
CN-115151237-B Stable perfuming compositions with good spray characteristics 化工产品开发公司SEPPIC 2024-11-19 CN disclosed
CN-114206308-B Anhydrous composition for topical use in the form of a dispersed phase based on at least one short glycol in a continuous fatty phase 化工产品开发公司SEPPIC 2024-11-19 CN disclosed
CN-113950521-B 1-Alkoxyethyl-4-isobutylbenzene as aromatic component 巴斯夫欧洲公司 2024-11-08 CN disclosed
CN-118613569-A Compositions comprising 4-isopropyl-1-methyl-7-oxabicyclo [2.2.1] heptan-2-ol or esters or ethers thereof and use thereof as fragrance chemicals 巴斯夫欧洲公司 2024-09-06 CN disclosed
EP-3699183-B1 COSMETIC COMPRISING A UREA GROUP-CONTAINING ORGANOPOLYSILOXANE SHINETSU CHEMICAL CO (JP) 2024-07-24 EP disclosed
WO-2010145920-A2 COSMETIC COMPOSITIONS COMPRISING SILVER SULPHATE HENKEL AG & CO. KGAA (DE) 2010-12-23 WO disclosed
WO-2010072705-A2 TRANSPARENT ANTIPERSPIRANT GELS HENKEL AG & CO. KGAA (DE) 2010-07-01 WO disclosed
EP-1291377-B1 SILICONE COMPOUND AND COSMETIC PREPARATION SHINETSU CHEMICAL CO (JP) 2007-03-28 EP disclosed
US-6984390-B2 Silicone compound and cosmetic preparation SHIN-ETSU CHEMICAL CO. LTD. (JP) 2006-01-10 US disclosed
CN-1158063-C Rinse-off water-in-oil-in-water compositions ˹��������ͼ˹�����µ� 2004-07-21 CN disclosed
EP-1424365-A1 PASTY COMPOSITION AND COSMETICS CONTAINING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2004-06-02 EP disclosed
CN-1142186-C Collagen-free cosmetic preparations \ 2004-03-17 CN disclosed
EP-1291377-A1 SILICONE COMPOUND AND COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-03-12 EP disclosed
CN-1349545-A collagen-free cosmetic preparation COGNIS DEUTSCHLAND GMBH (NO) 2002-05-15 CN disclosed
CN-1283101-A Improved antiperspirant activity and formulations made therefrom COLGATE PALMOLIVE CO (US) 2001-02-07 CN disclosed