Water

Water

SCHEMBL5183137

CC1CCCCN1C.O

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
SCHEMBL29028773 0.97 CYP1A2 (0.41)
SCHEMBL5242776 0.97
SCHEMBL2442076 0.97
SCHEMBL223265 0.97
SCHEMBL8242234 0.94 CYP1A2 (0.45)
SCHEMBL17297103 0.94
Hydrochloric Acid SCHEMBL9035401 0.94 CYP1A2 (0.40)
Ammonia Solution, Strong SCHEMBL3635864 0.94
SCHEMBL21960718 0.94 CYP1A2 (0.45)
SCHEMBL18116437 0.94 CYP1A2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992827-B2 MSECT-4 molecular sieves with off and ERI topologies, preparation method therefor, and applications thereof CHINA AUTOMOTIVE TECHNOLOGY AND RESEARCH CENTER CO., LTD (CN) 2024-05-28 US claimed
CN-114790007-B SSZ-39 molecular sieve, preparation method thereof and DeNOx reaction catalyst 中化学科学技术研究有限公司 2024-05-10 CN claimed
CN-117735568-A SSZ-39 molecular sieve and preparation method and application thereof 中化学科学技术研究有限公司 2024-03-22 CN claimed
US-20230330649-A1 MSECT-4 MOLECULAR SIEVES WITH OFF AND ERI TOPOLOGIES, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF CHINA AUTOMOTIVE TECHNOLOGY AND RESEARCH CENTER CO., LTD (CN) 2023-10-19 US claimed
CN-116835607-A SSZ-39 molecular sieve, preparation method thereof and DeNOx reaction catalyst 中化学科学技术研究有限公司 2023-10-03 CN claimed
CN-116282067-A SSZ-39 molecular sieve, preparation method thereof and DeNOx reaction catalyst 中化学科学技术研究有限公司 2023-06-23 CN claimed
CN-115260041-A Novel anti-aging agent and preparation method thereof 王兴路 2022-11-01 CN claimed
CN-114455604-B OFF + ERI structure msect-4 molecular sieve, preparation method and application thereof 中汽研(天津)汽车工程研究院有限公司 2022-07-01 CN claimed
CN-114455604-A OFF + ERI structure msect-4 molecular sieve, preparation method and application thereof 中汽研(天津)汽车工程研究院有限公司 2022-05-10 CN claimed
CN-111036296-A Supported condensation catalyst, preparation method thereof and application of supported condensation catalyst in synthesis of 1, 3-butanediol 万华化学集团股份有限公司 2020-04-21 CN claimed
US-11992827-B2 MSECT-4 molecular sieves with off and ERI topologies, preparation method therefor, and applications thereof CHINA AUTOMOTIVE TECHNOLOGY AND RESEARCH CENTER CO., LTD (CN) 2024-05-28 US disclosed
CN-114790007-B SSZ-39 molecular sieve, preparation method thereof and DeNOx reaction catalyst 中化学科学技术研究有限公司 2024-05-10 CN disclosed
CN-117735568-A SSZ-39 molecular sieve and preparation method and application thereof 中化学科学技术研究有限公司 2024-03-22 CN disclosed
CN-111867976-B CHA zeolitic materials and related methods of synthesis 巴斯夫公司 2024-03-22 CN disclosed
CN-117602640-A Mesoporous SSZ-39 molecular sieve, preparation method thereof and DeNO x Reaction catalyst 中化学科学技术研究有限公司 2024-02-27 CN disclosed
CN-111036296-A Supported condensation catalyst, preparation method thereof and application of supported condensation catalyst in synthesis of 1, 3-butanediol 万华化学集团股份有限公司 2020-04-21 CN disclosed
EP-1570512-A4 SLURRY COMPOSITION FOR SECONDARY POLISHING OF SILICON WAFER CHEIL IND INC (KR) 2007-05-09 EP disclosed
EP-1570512-A1 SLURRY COMPOSITION FOR SECONDARY POLISHING OF SILICON WAFER Cheil Industries Inc. (KR) 2005-09-07 EP disclosed
WO-2004053968-A1 SLURRY COMPOSITION FOR SECONDARY POLISHING OF SILICON WAFER CHEIL INDUSTRIES INC. (KR) 2004-06-24 WO disclosed
US-5139571-A Non-contaminating wafer polishing slurry MOTOROLA, INC. (US) 1992-08-18 US disclosed