Water

Water

SCHEMBL437587

O.OP(O)O.[CaH2]

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 SCHEMBL27628552 0.93
SCHEMBL4728114 0.91
SCHEMBL4728175 0.91
Water SCHEMBL28110784 0.91
Water SCHEMBL1666714 0.91
SCHEMBL4728113 0.91
Water SCHEMBL11274603 0.91
SCHEMBL314541 0.91
Water SCHEMBL21142944 0.91
Water SCHEMBL27381094 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139562-B2 Copolymer and grinding of a mineral matter COATEX (FR) 2024-11-12 US disclosed
CN-112189024-B Grinding of copolymers and mineral materials 可泰克斯公司 2023-03-10 CN disclosed
EP-2657261-B1 AQUEOUS POLY(METH)ACRYLIC ACID (SALT) SOLUTION AND PROCESS FOR PREPARING SAME NIPPON CATALYTIC CHEM IND (JP) 2022-06-15 EP disclosed
CN-114578028-A Simulation test and evaluation method for water resistance of vehicle transmission oil additive 复旦大学 2022-06-03 CN disclosed
CN-112566961-B Process for producing amorphous polyamide resin 三菱瓦斯化学株式会社 2022-02-25 CN disclosed
US-20210317266-A1 METHOD FOR PRODUCING AN AMORPHOUS POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-10-14 US disclosed
US-20210214476-A1 COPOLYMER AND GRINDING OF A MINERAL MATTER COATEX (FR) 2021-07-15 US disclosed
EP-3842473-A1 AMORPHOUS POLYAMIDE RESIN PRODUCTION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-30 EP disclosed
CN-112566961-A Process for producing amorphous polyamide resin 三菱瓦斯化学株式会社 2021-03-26 CN disclosed
CN-112189024-A Grinding of copolymers and mineral materials 可泰克斯公司 2021-01-05 CN disclosed
CN-1171928-C Polyamide resin composition and process for producing the same ������������ʽ���� 2004-10-20 CN disclosed
US-20040034141-A1 Apatite-reinforced resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-19 US disclosed
US-20030045621-A1 Polyamide resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
US-6506826-B1 A polyamide resin composition obtained by a process comprising: mixing a polyamide-forming component with an apatite compound- forming component; and allowing to proceed polymerization of a polyamide and synthesis of an apatite ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-01-14 US disclosed
CN-1362980-A Polyamide resin composition ASAHI CHEMICAL IND (JP) 2002-08-07 CN disclosed
EP-1179568-A1 POLYAMIDE RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2002-02-13 EP disclosed
CN-1275148-A Polyamide resin composition and process for producing the same ASAHI CHEMICAL IND (JP) 2000-11-29 CN disclosed
EP-1036819-A1 POLYAMIDE RESIN COMPOSITION AND PROCESS FOR PRODUCING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-09-20 EP disclosed
US-5698265-A Calcium phosphate compound-cellulose fiber composite material and method for production thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1997-12-16 US disclosed
US-4740393-A Coating composition containing a calcium phosphite and process for protecting a surface from corrosion NL CHEMICALS, INC. (US) 1988-04-26 US disclosed