Water

Water

SCHEMBL3484908

CCCCCC(N)(CCCC)CCCC.O

nearest known ligand 0.44

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.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS known ✓ P14324 4/20 0.44
THRB known ✓ P10828 1/20 0.39
MEN1 known ✓ O00255 1/20 0.36
SMPD1 P17405 4/20 0.43
TSHR P16473 2/20 0.39
DNM1 Q05193 4/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
GGPS1 O95749 2/20 0.36
TNNC1 P63316 2/20 0.35
SGPL1 O95470 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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 SCHEMBL3486009 0.97 FDPS (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL346990 0.97 FDPS (0.46) FDPSSMPD1TSHRTHRBDNM1
Water SCHEMBL3484942 0.94 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL6056284 0.94 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL4891289 0.94 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
Water SCHEMBL357554 0.94 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
Water SCHEMBL11520166 0.94 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
Hydrochloric Acid SCHEMBL5084825 0.94 FDPS (0.44) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL21409650 0.94 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL4898721 0.94 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026960-A1 POLISHING SLURRY COMPOSITION KCTECH CO.,LTD. (KR) 2025-01-23 US claimed
CN-118339245-A Polishing slurry composition 凯斯科技股份有限公司 2024-07-12 CN claimed
WO-2023121037-A1 POLISHING SLURRY COMPOSITION 주식회사 케이씨텍 2023-06-29 WO claimed
CN-110914326-B Method for producing porous material 埃力格-伊特有限责任公司 2023-06-13 CN claimed
CN-113302232-A Method for producing porous material 巴斯夫欧洲公司 2021-08-24 CN claimed
CN-110914326-A Method for producing porous material 巴斯夫欧洲公司 2020-03-24 CN claimed
US-20250026960-A1 POLISHING SLURRY COMPOSITION KCTECH CO.,LTD. (KR) 2025-01-23 US disclosed
CN-119126507-A Photoresist stripping liquid, preparation method and application thereof 浙江奥首材料科技有限公司 2024-12-13 CN disclosed
CN-118339245-A Polishing slurry composition 凯斯科技股份有限公司 2024-07-12 CN disclosed
WO-2023121037-A1 POLISHING SLURRY COMPOSITION 주식회사 케이씨텍 2023-06-29 WO disclosed
CN-110914326-B Method for producing porous material 埃力格-伊特有限责任公司 2023-06-13 CN disclosed
CN-113302232-A Method for producing porous material 巴斯夫欧洲公司 2021-08-24 CN disclosed
CN-110914326-A Method for producing porous material 巴斯夫欧洲公司 2020-03-24 CN disclosed
EP-0768917-A1 PROCESS FOR PREPARING CARBOXYLIC ACID SALTS AND CATALYSTS USEFUL IN SUCH PROCESS MONSANTO COMPANY (US) 1997-04-23 EP disclosed
US-5583213-A CONTACTING SULFATED POLYSACCHARIDE SALT WITH CATION EXCHANGE RESIN TO FORM FREE ACID, THEN WITH TETRAALKYLAMMONIUM HYDROXIDE TO FORM AMMONIUM SALT, REACTING WITH COUPLING AGENT IN APROTIC SOLVENT TO ACTIVATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-10 US disclosed
WO-1996035722-A1 PROCESS TO ACTIVATE SULFATED POLYSACCHARIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-14 WO disclosed
WO-1996001146-A1 PROCESS FOR PREPARING CARBOXYLIC ACID SALTS AND CATALYSTS USEFUL IN SUCH PROCESS MONSANTO COMPANY (US) 1996-01-18 WO disclosed
US-4503226-A QUATERNARY AMMONIUM CARBOXYLATE CATALYST OLIN CORPORATION (US) 1985-03-05 US disclosed
US-3989651-A TRIMERIZATION, N,N-DIMETHYLCYCLOHEXYLAMINE, TETRA-ALKYL AMMONIUM ALKANOIC ACID SALT THE UPJOHN COMPANY (US) 1976-11-02 US disclosed
US-3954684-A QUATERNARY AMMONIUM SALT CATALYSTTRIMERIZATION OF POLYISOCYANATE THE UPJOHN COMPANY (US) 1976-05-04 US disclosed