Water

Water

SCHEMBL2891339

O=C(Cl)Cl.[Na+].[OH-]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
SCHEMBL30536993 0.87
SCHEMBL30788722 0.87
SCHEMBL175558 0.87
SCHEMBL237 0.87
SCHEMBL7804052 0.82
Hydrochloric Acid SCHEMBL23420518 0.80
SCHEMBL3286907 0.80
Hydrochloric Acid SCHEMBL1473454 0.80
SCHEMBL8749498 0.80
Hydrogen Sulfide SCHEMBL21359612 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049583-B1 POLYSILOXANE COPOLYMERS,THERMOPLASTIC COMPOSITION, AND ARTICLES FORMED THEREFROM SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-11-06 EP disclosed
CN-101528805-B Polysiloxane copolymers,thermoplastic composition, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP 2013-11-06 CN disclosed
CN-101663234-B Condensation-adsorption process for removing organic components from a gas stream containing hydrogen chloride BAYER MATERIALSCIENCE AG 2013-06-19 CN disclosed
CN-101796098-B Thermoplastic compositions, methods of making, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP 2012-11-14 CN disclosed
CN-101516968-B Thermoplastic compositions, methods of making, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-02-01 CN disclosed
US-7790292-B2 Polysiloxane copolymers, thermoplastic composition, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-07 US disclosed
CN-101796098-A Thermoplastic compositions, methods of making, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP 2010-08-04 CN disclosed
EP-2066728-B1 THERMOPLASTIC COMPOSITIONS, METHODS OF MAKING, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2010-07-28 EP disclosed
US-7709562-B2 Low temperature ductility, flowability; cyanophenol endcapped polycarbonate, impact modifier and flame retardant; extrusion molding materials SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-05-04 US disclosed
CN-101663234-A Condensation-adsorption process for removing organic components from a gas stream containing hydrogen chloride BAYER MATERIALSCIENCE AG 2010-03-03 CN disclosed
WO-2009029779-A1 COPOLYESTERCARBONATE COMPOSITIONS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-03-05 WO disclosed
US-20090062439-A1 POLYESTERCARBONATE COMPOSITIONS CITIBANK, N.A., AS COLLATERAL AGENT 2009-03-05 US disclosed
WO-2008060714-A9 THERMOPLASTIC COMPOSITIONS, METHODS OF MAKING, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2008-12-24 WO disclosed
WO-2008127424-A1 THERMOPLASTIC COMPOSITIONS, METHODS OF MAKING, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP BV (US) 2008-10-23 WO disclosed
WO-2008060714-A2 THERMOPLASTIC COMPOSITIONS, METHODS OF MAKING, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-05-22 WO disclosed
US-20080081860-A1 Low temperature ductility, flowability; cyanophenol endcapped polycarbonate, impact modifier and flame retardant; extrusion molding materials SABIC INNOVATIVE PLASTICS IP BV (US) 2008-04-03 US disclosed
US-20080081855-A1 THERMOPLASTIC COMPOSITIONS, METHODS OF MAKING, AND ARTICLES FORMED THEREFROM GENERAL ELECTRIC COMPANY (US) 2008-04-03 US disclosed
US-20080081892-A1 THERMOPLASTIC COMPOSITIONS, METHODS OF MAKING, AND ARTICLES FORMED THEREFROM GENERAL ELECTRIC COMPANY (US) 2008-04-03 US disclosed
WO-2008021673-A1 POLYSILOXANE COPOLYMERS,THERMOPLASTIC COMPOSITION, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-02-21 WO disclosed
US-20070129492-A1 POLYSILOXANE COPOLYMERS, THERMOPLASTIC COMPOSITION, AND ARTICLES FORMED THEREFROM GENERAL ELECTRIC COMPANY (US) 2007-06-07 US disclosed