Water

Water

SCHEMBL1704729

O.O=[Ti](O)O.[LiH].[LiH]

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
Water SCHEMBL867549 0.94
Water SCHEMBL852727 0.94
Methane SCHEMBL15299825 0.88
Water SCHEMBL10494456 0.88
Water SCHEMBL7051725 0.88
Water SCHEMBL1779043 0.88
SCHEMBL8013873 0.87
SCHEMBL6935890 0.87
SCHEMBL18271 0.87
Fluoride SCHEMBL11652004 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023101941-A2 SYSTEMS, METHODS AND DEVICES FOR MANAGING ENERGY STORAGE DEVICES AT OPERATING TEMPERATURE LIMITS DRAGONFLY ENERGY CORP. (US) 2023-06-08 WO claimed
US-20230170725-A1 SYSTEMS, METHODS AND DEVICES FOR MANAGING ENERGY STORAGE DEVICES AT OPERATING TEMPERATURE LIMITS DRAGONFLY ENERGY CORP. (US) 2023-06-01 US claimed
US-20240199419-A1 METHOD AND SYSTEM FOR NANOMATERIAL PRODUCTION FORTUM BATTERY RECYCLING OY (FI) 2024-06-20 US disclosed
US-20240172801-A1 INDUCTIVE HEATING DEVICE HAVING A VOLTAGE CONVERTER PHILIP MORRIS PRODUCTS S.A. (CH) 2024-05-30 US disclosed
WO-2024104514-A1 BATTERY ENERGY STORAGE SYSTEM TiTRON storage s.r.o. (CZ) 2024-05-23 WO disclosed
WO-2024104514-A1 BATTERY ENERGY STORAGE SYSTEM TiTRON storage s.r.o. (CZ) 2024-05-23 WO disclosed
WO-2024045169-A1 AEROSOL-GENERATING DEVICE PHILIP MORRIS PRODUCTS S.A. (CH) 2024-03-07 WO disclosed
WO-2024045156-A1 AEROSOL-GENERATING DEVICE PHILIP MORRIS PRODUCTS S.A. (CH) 2024-03-07 WO disclosed
WO-2024045149-A1 AEROSOL-GENERATING DEVICE PHILIP MORRIS PRODUCTS S.A. (CH) 2024-03-07 WO disclosed
WO-2024045172-A1 AEROSOL-GENERATING DEVICE PHILIP MORRIS PRODUCTS S.A. (CH) 2024-03-07 WO disclosed
WO-2024047243-A1 AEROSOL-GENERATING DEVICE WITH USAGE LIMITATION PHILIP MORRIS PRODUCTS S.A. (CH) 2024-03-07 WO disclosed
US-20230223603-A1 BATTERY CELL WITH REFERENCE ELECTRODE CUMMINS INC. 2023-07-13 US disclosed
WO-2023101941-A2 SYSTEMS, METHODS AND DEVICES FOR MANAGING ENERGY STORAGE DEVICES AT OPERATING TEMPERATURE LIMITS DRAGONFLY ENERGY CORP. (US) 2023-06-08 WO disclosed
US-20230170725-A1 SYSTEMS, METHODS AND DEVICES FOR MANAGING ENERGY STORAGE DEVICES AT OPERATING TEMPERATURE LIMITS DRAGONFLY ENERGY CORP. (US) 2023-06-01 US disclosed
EP-4113140-A1 BATTERY FAULT DETERMINATION Dukosi Limited (GB) 2023-01-04 EP disclosed
US-20210344208-A1 EV Charging System for Micromobility Vehicles Having a Battery Management System with Control and Discharge Electronics ZapBatt, Inc. (US) 2021-11-04 US disclosed
US-20210336448-A1 Battery Management System with Control and Discharge Electronics ZapBatt, Inc. 2021-10-28 US disclosed
EP-2628205-B1 ELECTROCHEMICAL CELL BASED ON LITHIUM TECHNOLOGY WITH INTERNAL REFERENCE ELECTRODE, PROCESS FOR ITS PRODUCTION AND METHODS FOR SIMULTANEOUS MONITORING OF THE VOLTAGE OR IMPEDANCE OF THE ANODE AND THE CATHODE THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2021-01-06 EP disclosed
US-20130323542-A1 Electrochemical Cell Based on Lithium Technology with Internal Reference Electrode, Process for Its Production and Methods for Simultaneous Monitoring of the Voltage or Impedance of the Anode and the Cathode Thereof FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2013-12-05 US disclosed
EP-2442400-A1 Electrochemical cell based on lithium technology with internal reference electrode, process for its production and methods for simultaneous monitoring the voltage or impedance of the anode and the cathode thereof Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2012-04-18 EP disclosed