Water

Water

SCHEMBL13835876

[C+4].[Ca+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 SCHEMBL28266140 1.00
Water SCHEMBL27455594 0.82
Water SCHEMBL6142606 0.82
Water SCHEMBL1759 0.82
Water SCHEMBL374774 0.82
Water SCHEMBL27451858 0.82
Water SCHEMBL447745 0.82
Water SCHEMBL29152753 0.82
Water SCHEMBL8143527 0.82
Water SCHEMBL4114559 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-204006025-U A kind of dangerous waste and medical waste incinerator complexes SHANGHAI CANZHOU ENVIRONMENTAL ENGINEERING CO LTD 2014-12-10 CN claimed
CN-103557526-A Complete equipment of hazardous waste and medical waste incinerator and incineration method of hazardous waste and medical waste SHANGHAI CANZHOU ENVIRONMENTAL ENGINEERING CO LTD 2014-02-05 CN claimed
CN-114307579-A Desulfurization and carbon entrapment integration system 南方电网电力科技股份有限公司 2022-04-12 CN disclosed
CN-216088422-U Mosquito trapping device 焦籽萌 2022-03-22 CN disclosed
CN-110228986-A A method of promoting quick lime carbonization 湖北工业大学 2019-09-13 CN disclosed
CN-109824076-A Bubble chamber film method prepares calcium carbonate technique and its application 广西大学 2019-05-31 CN disclosed
CN-109810294-A A kind of preparation method of the high-end nanometer calcium carbonate of butyl rubber product 卢氏国嵩莱纳米科技有限公司 2019-05-28 CN disclosed
CN-107175165-B A kind of hydrophobic sur- face modification method improving oxidized coal slime flotation effect 太原理工大学 2018-11-16 CN disclosed
CN-105858699-B Utilize the production technology and device of the dry synthetic calcium carbonate of high warm flue gas carbonization 中国中材国际工程股份有限公司 2018-07-13 CN disclosed
CN-206762053-U Positive pressure oxygen respirator 陈勇 2017-12-19 CN disclosed
CN-205740374-U A kind of system of production of calcium carbide from its residue 神雾环保技术股份有限公司 2016-11-30 CN disclosed
US-20150004287-A1 OXYGEN, WATER VAPOR, AND CARBON DIOXIDE ABSORPTION IN A SINGLE USE CONTAINER MULTISORB TECH INC (US) 2015-01-01 US disclosed
CN-204006025-U A kind of dangerous waste and medical waste incinerator complexes SHANGHAI CANZHOU ENVIRONMENTAL ENGINEERING CO LTD 2014-12-10 CN disclosed
CN-204006025-U A kind of dangerous waste and medical waste incinerator complexes SHANGHAI CANZHOU ENVIRONMENTAL ENGINEERING CO LTD 2014-12-10 CN disclosed
CN-104126610-A Plant fungicide YANG CHENGYU 2014-11-05 CN disclosed
CN-103557526-A Complete equipment of hazardous waste and medical waste incinerator and incineration method of hazardous waste and medical waste SHANGHAI CANZHOU ENVIRONMENTAL ENGINEERING CO LTD 2014-02-05 CN disclosed
WO-2013177352-A1 METHOD OF RAPID CARBON DIOXIDE ABSORPTION MULTISORB TECHNOLOGIES, INC. (US) 2013-11-28 WO disclosed
US-20120294996-A1 METHOD OF RAPID CARBON DIOXIDE ABSORPTION MULTISORB TECHNOLOGIES, INC. (US) 2012-11-22 US disclosed