Water

Water

SCHEMBL1886264

CCC(C)C(N)(CC)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
SCHEMBL349145 0.97 TSHR (0.30)
Iodide SCHEMBL5092921 0.94
Bromide SCHEMBL5085164 0.94
Hydrochloric Acid SCHEMBL5091747 0.94
Perchlorate SCHEMBL5832942 0.83
SCHEMBL1137826 0.81 FDPS (0.30)
Water SCHEMBL20450643 0.78 TSHR (0.33)
Water SCHEMBL999492 0.75
Water SCHEMBL23455306 0.74 TSHR (0.30)
SCHEMBL3302856 0.74 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384686-B2 Method for preparing TS-1 molecular sieve with hierarchical pores DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2025-08-12 US claimed
US-12383891-B2 Method for preparation of hierarchical TS-1 molecular sieve DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2025-08-12 US claimed
CN-119976882-A Method for synthesizing hierarchical pore molecular sieve 中国石油大学(华东) 2025-05-13 CN claimed
CN-119219020-A Method for solvent-free solid phase synthesis of ZSM-5 of silicon-aluminum molecular sieve 中国科学院大连化学物理研究所 2024-12-31 CN claimed
CN-119219014-A Solvent-free solid phase synthesis method of titanium-silicon molecular sieve TS-1 中国科学院大连化学物理研究所 2024-12-31 CN claimed
CN-111905798-B Preparation method and application of titanium-containing mesoporous material MCM-41 中国科学院大连化学物理研究所 2023-04-07 CN claimed
US-20220008902-A1 METHOD FOR PREPARATION OF HIERARCHICAL TS-1 MOLECULAR SIEVE DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2022-01-13 US claimed
US-20210403332-A1 METHOD FOR PREPARING TS-1 MOLECULAR SIEVE WITH HIERARCHICAL PORES DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-12-30 US claimed
US-20210403333-A1 METHOD FOR PREPARING HIERARCHICAL POROUS TITANOSILICATE TS-1 MOLECULAR SIEVE DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-12-30 US claimed
CN-111186843-B Method for preparing hierarchical porous titanium silicon TS-1 molecular sieve 中国科学院大连化学物理研究所 2021-12-14 CN claimed
CN-111186845-A Method for preparing hierarchical pore TS-1 molecular sieve 中国科学院大连化学物理研究所 2020-05-22 CN claimed
CN-111186843-A Method for preparing hierarchical porous titanium silicon TS-1 molecular sieve 中国科学院大连化学物理研究所 2020-05-22 CN claimed
CN-111186842-A Preparation method of hierarchical pore TS-1 molecular sieve 中国科学院大连化学物理研究所 2020-05-22 CN claimed
US-20110129925-A1 ZEOLITE AND BONE MIMETIC ZEOLITE BASED COATINGS FOR BIOIMPLANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-06-02 US claimed
US-7632771-B2 UV light exposure for functionalization and hydrophobization of pure-silica zeolites IMEC (BE) 2009-12-15 US claimed
US-20070189961-A1 UV light exposure for functionalization and hydrophobization of pure-silica zeolites KATHOLIEKE UNIVERSITEIT LEUVEN (KUL) (BE) 2007-08-16 US claimed
EP-1816104-A1 UV cure for functionalization and hydrophobization of zeolite Interuniversitair Microelektronica Centrum (IMEC) (BE) 2007-08-08 EP claimed
US-6849568-B2 Hydrophilic zeolite coating HONEYWELL INTERNATIONAL INC. (US) 2005-02-01 US claimed
US-20030091872-A1 Hydrophilic zeolite coating YAN YUSHAN (US) 2003-05-15 US claimed
US-6500490-B1 FORMING ANTIMICROBIAL, CORROSION RESISTANT POLYCRYSTALLINE LAYER ON A HEAT EXCHANGER; CONTACTING WITH SODIUM HYDROXIDE,TETRAPROPYLAMMONIUM HYDROXIDE, ALUMINUM OXIDE, TETRAETHYL- SILICATE AND WATER; CALCINING; ION EXCHANGING HONEYWELL INTERNATIONAL INC. 2002-12-31 US claimed