Water

Water

SCHEMBL339024

O.[Ac]

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 SCHEMBL11776131 0.71
Water SCHEMBL4407393 0.71
Water SCHEMBL20338157 0.71
Water SCHEMBL2121635 0.71
Water SCHEMBL20503800 0.71
Water O 15 SCHEMBL25428717 0.71
SCHEMBL9235412 0.71
SCHEMBL8175 0.71
Water SCHEMBL16244 0.71
Water SCHEMBL15484266 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103418316-A Preparation method of modified micro-granules ZHANG YING 2013-12-04 CN claimed
US-20130015398-A1 METHOD FOR PREPARING MODIFIED MICRONIZED PARTICLES JINNENG SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-01-17 US claimed
CN-102139197-A Preparation method of modified micronized particles YING ZHANG 2011-08-03 CN claimed
EP-1837010-A2 Process for relaxing or straightening hair L'Oréal (FR) 2007-09-26 EP claimed
US-20250099353-A1 METHODS FOR SMOOTHING HAIR L'OREAL (FR) 2025-03-27 US disclosed
CN-119654132-A Composition for treating keratin fibres 莱雅公司 2025-03-18 CN disclosed
US-12179149-B2 Method for purifying 226Ra-containing solution, method for producing 226Ra target, and method for producing 225Ac NIHON MEDI-PHYSICS CO., LTD. (JP) 2024-12-31 US disclosed
CN-114040813-B Method for purifying 226 Ra-containing solution, method for producing 226Ra target, and method for producing 225Ac 日本医事物理股份有限公司 2024-06-21 CN disclosed
WO-2024031596-A1 COMPOSITION FOR TREATING KERATIN FIBERS L'OREAL (FR) 2024-02-15 WO disclosed
US-11890365-B2 Composition and process for treating hair L'OREAL (FR) 2024-02-06 US disclosed
CN-112469384-B Two-step treatment for desquamation of skin 莱雅公司 2023-12-12 CN disclosed
US-20230364275-A1 METHOD FOR PRODUCING Ac-225 SOLUTION AND METHOD FOR PRODUCING MEDICINE USING Ac-225 SOLUTION NIHON MEDI-PHYSICS CO., LTD. (JP) 2023-11-16 US disclosed
US-20030079300-A1 Methods for relaxing and re-waving hair comprising at least one reducing agent and at least one hydroxide compound L'OREAL S.A. (FR) 2003-05-01 US disclosed
US-20030037384-A1 Compositions comprising at least one hydroxide compound and at least one oxidizing agent, and methods to straighten curly hair L'OREAL S.A. (FR) 2003-02-27 US disclosed
WO-2003015731-A1 METHODS FOR RELAXING AND RE-WAVING HAIR USING AT LEAST ONE REDUCING AGENT AND AT LEAST ONE HYDROXIDE COMPOUND L'OREAL S.A. (FR) 2003-02-27 WO disclosed
WO-2003015732-A1 COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE OXIDIZING AGENT, AND METHODS TO STRAIGHTEN CURLY HAIR L'OREAL S.A. (FR) 2003-02-27 WO disclosed
WO-2003015725-A2 COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE REDUCING AGENT, AND METHODS FOR RELAXING HAIR L'OREAL S.A. (FR) 2003-02-27 WO disclosed
US-20030033677-A1 Compositions comprising at least one hydroxide compound and at least one reducing agent, and methods for relaxing hair L'OREAL S.A. (FR) 2003-02-20 US disclosed
US-20020159962-A1 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL S.A. (FR) 2002-10-31 US disclosed
WO-2002067875-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING THE SAME L'OREAL S.A. (FR) 2002-09-06 WO disclosed