Water

Water

SCHEMBL5696012

O.O.O=[Mo].[NaH]

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
SCHEMBL2388558 0.89 — —
Water SCHEMBL6244835 0.89 — —
Water SCHEMBL374301 0.89 — —
Water SCHEMBL14353525 0.80 — —
SCHEMBL21352607 0.80 — —
Water SCHEMBL23042744 0.80 — —
SCHEMBL6890124 0.80 — —
Water SCHEMBL28217529 0.80 — —
Water SCHEMBL25372392 0.80 — —
Water SCHEMBL28175292 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003611-A2 TERNARY DUMBBELL NANOWIRE SEMICONDUCTORS FOR PHOTOCATALYSIS AND METHODS OF USE TECHNION RESEARCH AND DEVELOPMENT FOUNDATION, LTD. (IL) 2024-01-04 — — WO claimed
CN-1874982-A Selective catalytic oxybromination of hydroxyaromatic compounds GEN ELECTRIC (US) 2006-12-06 — — CN claimed
EP-1660424-A1 SELECTIVE CATALYTIC OXYBROMINATION OF HYDROXYAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-05-31 — — EP claimed
EP-1660423-A1 BROMINATION OF HYDROXYAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-05-31 — — EP claimed
US-7053251-B2 Bromination of hydroxyaromatic compounds GENERAL ELECTRIC COMPANY (US) 2006-05-30 — — US claimed
US-7022886-B2 Selective catalytic oxybromination of hydroxyaromatic compounds GENERAL ELECTRIC COMPANY (US) 2006-04-04 — — US claimed
WO-2005023738-A1 BROMINATION OF HYDROXYAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2005-03-17 — — WO claimed
WO-2005023739-A1 SELECTIVE CATALYTIC OXYBROMINATION OF HYDROXYAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2005-03-17 — — WO claimed
US-20050049440-A1 Bromination of hydroxyaromatic compounds GENERAL ELECTRIC COMPANY (US) 2005-03-03 — — US claimed
US-20050049441-A1 Selective catalytic oxybromination of hydroxyaromatic compounds GENERAL ELECTRIC COMPANY (US) 2005-03-03 — — US claimed
US-20250169509-A1 ENDOPHYTE COMPOSITIONS AND METHODS FOR IMPROVED PLANT HEALTH INDIGO AG, INC. 2025-05-29 — — US disclosed
EP-4486127-A1 ENDOPHYTE COMPOSITIONS AND METHODS FOR IMPROVED PLANT HEALTH Indigo AG, Inc. (US) 2025-01-08 — — EP disclosed
US-11957817-B2 Method for degrading organism NATIONAL TSING HUA UNIVERSITY (TW) 2024-04-16 — — US disclosed
WO-2024003611-A2 TERNARY DUMBBELL NANOWIRE SEMICONDUCTORS FOR PHOTOCATALYSIS AND METHODS OF USE TECHNION RESEARCH AND DEVELOPMENT FOUNDATION, LTD. (IL) 2024-01-04 — — WO disclosed
WO-2023168448-A1 ENDOPHYTE COMPOSITIONS AND METHODS FOR IMPROVED PLANT HEALTH INDIGO AG, INC. (US) 2023-09-07 — — WO disclosed
US-20050059843-A1 Method for preparation of para-brominated hydroxyaromatic compounds GENERAL ELECTRIC COMPANY (US) 2005-03-17 — — US disclosed
WO-2005023738-A1 BROMINATION OF HYDROXYAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2005-03-17 — — WO disclosed
WO-2005023739-A1 SELECTIVE CATALYTIC OXYBROMINATION OF HYDROXYAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2005-03-17 — — WO disclosed
US-20050049440-A1 Bromination of hydroxyaromatic compounds GENERAL ELECTRIC COMPANY (US) 2005-03-03 — — US disclosed
US-20050049441-A1 Selective catalytic oxybromination of hydroxyaromatic compounds GENERAL ELECTRIC COMPANY (US) 2005-03-03 — — US disclosed
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