Water

Water

SCHEMBL119564

O.O=[Ti]

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 SCHEMBL28138051 1.00
Water SCHEMBL2783565 1.00
Water SCHEMBL27713657 0.89
Water SCHEMBL20581921 0.89
Water SCHEMBL27539224 0.89
Water SCHEMBL23923678 0.89
Water SCHEMBL28609866 0.89
Water SCHEMBL9185828 0.89
Fluoride SCHEMBL19327580 0.89
Water SCHEMBL27498805 0.89

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 1263 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731576-A1 PROCESS FOR THE TREATMENT OF RESIDUES OF THE ALUMINA REFINING INDUSTRY, OBTAINING VALORIZABLE PRODUCTS AND SECONDARY RAW MATERIALS, IN ACCORDANCE WITH THE STRATEGIES OF THE CIRCULATORY ECONOMY Ecotec Gestione Impianti S.r.l. (IT) 2026-04-29 EP claimed
US-20250132342-A1 ALL-SOLID-STATE RECHARGEABLE BATTERY SAMSUNG SDI CO LTD (KR) 2025-04-24 US claimed
CN-119812274-A Negative electrode material of sodium ion battery and preparation method thereof 万华化学集团股份有限公司 2025-04-11 CN claimed
WO-2024261518-A1 PROCESS FOR THE TREATMENT OF RESIDUES OF THE ALUMINA REFINING INDUSTRY, OBTAINING VALORIZABLE PRODUCTS AND SECONDARY RAW MATERIALS, IN ACCORDANCE WITH THE STRATEGIES OF THE CIRCULATORY ECONOMY ECOTEC GESTIONE IMPIANTI S.R.L. (IT) 2024-12-26 WO claimed
CN-117881732-A Silky white multilayer coating 巴斯夫涂料有限公司 2024-04-12 CN claimed
CN-115259214-B Preparation method of spheroidized nano titanium dioxide 宣城晶瑞新材料有限公司 2024-03-01 CN claimed
EP-3447094-B1 HIGH GLOSS SILVER COLOUR PIGMENTS WITH HIGH COVERAGE AND METALLIC APPEARANCE, METHODS FOR THEIR MANUFACTURE AND THEIR USE ECKART GMBH (DE) 2023-10-04 EP claimed
US-11628420-B2 Powdered titanium oxide, method for the production thereof, and use thereof HUNTSMAN P&A GERMANY GMBH (DE) 2023-04-18 US claimed
CN-115911307-A Lithium titanate/carbon quantum dot composite material, preparation method thereof and battery 上海空间电源研究所 2023-04-04 CN claimed
EP-4040522-A1 ALL-SOLID-STATE RECHARGEABLE BATTERY Samsung SDI Co., Ltd. (KR) 2022-08-10 EP claimed
US-4986742-A EXTRACTION OF TITANYL SULFATE WITH AN ORGANOPHOSPHORUS COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1991-01-22 US claimed
US-4919726-A Process for the production of rutile mixed-phase pigments BAYER AKTIENGESELLSCHAFT (DE) 1990-04-24 US claimed
EP-0339399-A1 Flaky extender pigment and method for preparing the same MERCK PATENT GmbH (DE) 1989-11-02 EP claimed
EP-0149153-B1 PROCESS FOR PRODUCING AQUEOUS HYDROXYLAMINE SOLUTIONS BASF Aktiengesellschaft (DE) 1988-06-01 EP claimed
EP-0147608-B1 PROCESS FOR THE PREPARATION OF TITANIUM DIOXIDE BAYER AG (DE) 1987-08-12 EP claimed
US-4663131-A Process for the preparation of titanium dioxide BAYER AKTIENGESELLSCHAFT (DE) 1987-05-05 US claimed
US-4645579-A Preparation of aqueous hydroxylamine solutions BASF AKTIENGSELLSCHAFT (DE) 1987-02-24 US claimed
US-4388288-A CLAUS PROCESS RHONE-POULENC INDUSTRIES (FR) 1983-06-14 US claimed
US-4286378-A Process for producing a body of sintered TiO2 for resistive gas sensor GENERAL MOTORS CORPORATION (US) 1981-09-01 US claimed
US-4085190-A Production of rutile from ilmenite SHIAH CHYN DUOG 1978-04-18 US claimed