Water

Water

SCHEMBL918845

CC(C)C(C)(C)N.O

nearest known ligand 0.00

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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
Hydrochloric Acid SCHEMBL8068570 0.96
SCHEMBL163513 0.95
SCHEMBL15141903 0.95 ALDH1A1 (0.33)
SCHEMBL31094281 0.91
Iodide SCHEMBL3836089 0.91
Bromide SCHEMBL28466040 0.91
SCHEMBL31094282 0.91
Bromide SCHEMBL4007319 0.91
Ammonia Solution, Strong SCHEMBL2784565 0.91
Hydrochloric Acid SCHEMBL2187615 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 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119976882-A Method for synthesizing hierarchical pore molecular sieve 中国石油大学(华东) 2025-05-13 CN claimed
CN-112859549-B Developing solution for retarding AlN substrate corrosion 宁波南大光电材料有限公司 2025-02-21 CN claimed
CN-115246793-B Preparation method of diisocyanate trimer, catalyst and preparation method thereof 山东新和成精化科技有限公司 2023-07-07 CN claimed
CN-115124049-A Method for synthesizing FER zeolite nanosheet with controllable thickness by using small-molecule template agent 浙江大学 2022-09-30 CN claimed
CN-114292614-A Preparation method of modified silicon dioxide-epoxy resin composite slurry 西陇科学股份有限公司 2022-04-08 CN claimed
CN-113563169-B Preparation method of tris (2,2,6, 6-tetramethyl-3, 5-heptanedionate) aluminum 苏州源展材料科技有限公司 2021-12-14 CN claimed
CN-113563169-A Preparation method of tris (2,2,6, 6-tetramethyl-3, 5-heptanedionate) aluminum 苏州源展材料科技有限公司 2021-10-29 CN claimed
CN-112859550-A Water-phase developing solution for retarding aluminum corrosion and preparation method thereof 宁波南大光电材料有限公司 2021-05-28 CN claimed
CN-112859549-A Developing solution for retarding corrosion of AlN substrate 宁波南大光电材料有限公司 2021-05-28 CN claimed
CN-111453745-A Mesoporous agent and hierarchical pore molecular sieve prepared from same 北京大学深圳研究生院 2020-07-28 CN claimed
US-12516139-B2 Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-01-06 US disclosed
EP-4321541-B1 RESIN COMPOSITION, RESIN SHEET, MULTILAYER PRINTED WIRING BOARD AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL CO (JP) 2025-08-06 EP disclosed
US-12312323-B2 Compound, method for producing same, resin composition, resin sheet, multilayer printed wiring board, and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-05-27 US disclosed
CN-119976882-A Method for synthesizing hierarchical pore molecular sieve 中国石油大学(华东) 2025-05-13 CN disclosed
CN-112859549-B Developing solution for retarding AlN substrate corrosion 宁波南大光电材料有限公司 2025-02-21 CN disclosed
US-4299729-A TREATING WITH AN AMMONIACAL SOLUTION OF A METAL CHELATE AND AN AQUEOUS SOLUTION OF A QUATERNARY AMMONIUM COMPOUND UOP INC. (US) 1981-11-10 US disclosed
US-4298463-A Method of treating a sour petroleum distillate UOP INC. (US) 1981-11-03 US disclosed
US-4213877-A Method of reactivating a catalytic composite of an adsorptive carrier material and a mercaptan oxidation catalyst UOP INC. (US) 1980-07-22 US disclosed
US-4204970-A Lubricant compositions containing alkylated aromatic amino acid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1980-05-27 US disclosed
US-4203827-A Process for treating sour petroleum distillates UOP INC. (US) 1980-05-20 US disclosed