Water

Water

SCHEMBL1593655

[Cl+].[Na+].[OH-].[OH-]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

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
Water SCHEMBL119 0.82
Water SCHEMBL1313632 0.82 CA1 (0.33)
Water SCHEMBL3835534 0.82
Water SCHEMBL1333092 0.82
Water SCHEMBL8984178 0.82 CA1 (0.33)
Water SCHEMBL430526 0.82
Water SCHEMBL9156696 0.82
Water SCHEMBL2813134 0.82
Water SCHEMBL9003163 0.82 CA1 (0.33)
Water SCHEMBL8055807 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108607697-B A kind of centrifugal immunogenic production process YIXING HUADING MACHINERY CO., LTD. (CN) 2019-11-01 CN claimed
CN-108607697-A A kind of centrifugal immunogenic production process 宜兴市华鼎机械有限公司 2018-10-02 CN claimed
EP-0973809-B1 CROSS-LINKED SULPHONATED POLYMERS AND METHOD FOR PREPARING SAME HYDRO QUEBEC (CA) 2004-04-28 EP claimed
EP-0973734-B1 CROSSLINKABLE BI-SULPHONYL DERIVATIVES AND THEIR USES FOR PREPARING ION-EXCHANGING MEMBRANES HYDRO QUEBEC (CA) 2003-06-04 EP claimed
EP-0148023-A2 Process for the purification of mercury MONTEDIPE S.p.A. (IT) 1985-07-10 EP claimed
US-4175381-A Electromagnetic reactor engine system-apparatus and method SOLAR REACTOR CORPORATION (US) 1979-11-27 US claimed
US-4026112-A Solar reactor engine SOLAR REACTOR TECHNOLOGIES, INC. A FL CORP. 1977-05-31 US claimed
US-4024715-A Solar reactor engine SCRAGG ROBERT L 1977-05-24 US claimed
WO-2023056962-A1 USE OF SPORE OF CLOSTRIDIUM GHONII IN COMBINATION WITH PEMBROLIZUMAB 山东新创生物科技有限公司 2023-04-13 WO disclosed
EP-2594665-B1 ELECTROLYTIC CELL FOR MANUFACTURING CHLORINE AND SODIUM HYDROXIDE AND METHOD FOR MANUFACTURING CHLORINE AND SODIUM HYDROXIDE KANEKA CORP (JP) 2020-05-13 EP disclosed
CN-108079715-B The device of solid impurity is removed for waste chlorine 攀枝花钢企欣宇化工有限公司 2019-12-03 CN disclosed
CN-108607697-B A kind of centrifugal immunogenic production process YIXING HUADING MACHINERY CO., LTD. (CN) 2019-11-01 CN disclosed
CN-108607697-B A kind of centrifugal immunogenic production process YIXING HUADING MACHINERY CO., LTD. (CN) 2019-11-01 CN disclosed
CN-109289484-A A kind of recycling system of the high temperature furnace containing chlorine, nitrogen tail gas 辽宁新瑞碳材料科技有限公司 2019-02-01 CN disclosed
US-4084038-A Electrical power generation and storage system SCRAGG ROBERT L 1978-04-11 US disclosed
US-4084038-A Electrical power generation and storage system SCRAGG ROBERT L 1978-04-11 US disclosed
US-4070861-A Solar reactor combustion chamber SOLAR REACTOR CORPORATION (US) 1978-01-31 US disclosed
US-4026112-A Solar reactor engine SOLAR REACTOR TECHNOLOGIES, INC. A FL CORP. 1977-05-31 US disclosed
US-4024715-A Solar reactor engine SCRAGG ROBERT L 1977-05-24 US disclosed
US-3998205-A Solar reactor steam generator method and apparatus SOLAR REACTOR TECHNOLOGIES, INC. A FL CORP. 1976-12-21 US disclosed