Water

Water

SCHEMBL28164752

CCN1C(C)CCCC1(C)CC.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
Iodide SCHEMBL28164750 0.96
SCHEMBL12713421 0.79 CHRM2 (0.30)
SCHEMBL22996399 0.78
SCHEMBL21872404 0.69
SCHEMBL19255240 0.68
SCHEMBL9504112 0.67 KDM4E (0.33)
SCHEMBL19240168 0.66
SCHEMBL13464010 0.65 GBA1 (0.35)
SCHEMBL19605831 0.63
SCHEMBL6538678 0.61 TSHR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114261974-B SSZ-39 molecular sieve and preparation method thereof 南京谊明新材料科技有限公司 2024-06-04 CN 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
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-116618087-A Copper-based SSZ-39 molecular sieve catalyst, and preparation method and application thereof 东南大学 2023-08-22 CN claimed
CN-116618088-A Core-shell SCR catalyst taking SSZ-39 molecular sieve as carrier, and preparation method and application thereof 东南大学 2023-08-22 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-114261974-A SSZ-39 molecular sieve and preparation method thereof 南京谊明新材料科技有限公司 2022-04-01 CN claimed
CN-113677623-A Process for continuous production of nanosized AEI-type zeolites 太平洋工业发展公司 2021-11-19 CN claimed
CN-112969663-A Process for preparing AEI-type zeolites having high silica to alumina molar ratio (SAR) 太平洋工业发展公司 2021-06-15 CN claimed
CN-112601715-A Process for preparing AEI-type zeolites having a high silica to alumina ratio (SAR) 太平洋工业发展公司 2021-04-02 CN claimed
CN-111825101-A High-silicon Y molecular sieve and preparation method thereof 中国科学院大连化学物理研究所 2020-10-27 CN claimed
CN-111825104-A Method for preparing high-silicon Y molecular sieve by seed crystal method 中国科学院大连化学物理研究所 2020-10-27 CN claimed
CN-109650402-B Method for preparing nano flaky FER molecular sieve by hydrothermal synthesis method 浙江大学 2020-07-17 CN claimed
CN-114261974-B SSZ-39 molecular sieve and preparation method thereof 南京谊明新材料科技有限公司 2024-06-04 CN 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-109590018-A For handling the catalyst of exhaust gas 庄信万丰股份有限公司 2019-04-09 CN disclosed
CN-104703694-B catalyst for treating exhaust gas 庄信万丰股份有限公司 2018-12-21 CN disclosed
CN-107074570-A SAPO 18 synthesis and its catalysis use 西班牙高等科研理事会 2017-08-18 CN disclosed