SCHEMBL1531298

SCHEMBL1531298

O=P([O-])([O-])C(N(CCN(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of None. 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
SCHEMBL6807665 0.97
SCHEMBL583191 0.97
SCHEMBL8643089 0.97
SCHEMBL10535754 0.97
Potassium Ion SCHEMBL3178660 0.94 SLC34A1 (0.30)
SCHEMBL8599519 0.94
SCHEMBL8599516 0.94
Lithium Ion SCHEMBL3284821 0.94
SCHEMBL8763835 0.94
SCHEMBL3986401 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947466-A Coal gasification grey water scale inhibition and dispersion agent, preparation method and performance evaluation method thereof 国家能源集团宁夏煤业有限责任公司 2023-04-11 CN claimed
CN-114340147-B Method for manufacturing copper-clad ceramic substrate pre-filled with insulating material 江苏富乐华半导体科技股份有限公司 2023-03-07 CN claimed
CN-113773822-B Steam flooding profile control agent and preparation method and application thereof 中国石油天然气股份有限公司 2023-01-10 CN claimed
CN-113773821-B High-temperature blockage-regulating cleanup additive and preparation method and application thereof 中国石油天然气股份有限公司 2023-01-06 CN claimed
CN-112626508-B Surface treatment liquid for copper or copper alloy plate and preparation method and application thereof 广州三孚新材料科技股份有限公司 2022-11-11 CN claimed
CN-115159699-A Scale inhibition composite material and preparation method thereof 深圳市飞白科技有限公司 2022-10-11 CN claimed
CN-115044934-A Surface organic modified nickel-iron oxide/nickel composite material and preparation method thereof 江南大学 2022-09-13 CN claimed
CN-114350449-A Cleaning agent and cleaning method for landfill leachate evaporator 厦门嘉戎技术股份有限公司 2022-04-15 CN claimed
CN-113773822-A Steam flooding profile control agent and preparation method and application thereof 中国石油天然气股份有限公司 2021-12-10 CN claimed
CN-113773821-A High-temperature blockage-regulating cleanup additive and preparation method and application thereof 中国石油天然气股份有限公司 2021-12-10 CN claimed
CN-108659164-B Ultrahigh molecular weight cationic polyacrylamide, and preparation method and application thereof 东营市诺尔化工有限责任公司 2021-03-23 CN claimed
CN-112521949-A Heavy metal soil leaching composition containing organic acid, application thereof and heavy metal soil remediation method 中国石油化工股份有限公司 2021-03-19 CN claimed
CN-108329422-B Water-in-water type microsphere profile control agent and preparation method thereof 山东诺尔生物科技有限公司 2020-12-29 CN claimed
CN-108102028-B Water-in-water amphoteric polyacrylamide emulsion and preparation method thereof 山东诺尔生物科技有限公司 2020-11-13 CN claimed
CN-110804738-A High-efficiency degreasing agent and production method thereof 宁波际超新材料科技有限公司 2020-02-18 CN claimed
CN-110732351-A Demetallization reactivation method for waste catalytic cracking catalyst 中国石油化工股份有限公司 2020-01-31 CN claimed
US-7700532-B2 Cleaning composition and method of cleaning therewith WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-20 US claimed
US-20060154838-A1 Cleaning composition and method of cleaning therewith WAKO PURE CHEMICAL INDUSTRIES (JP) 2006-07-13 US claimed
EP-1562225-A1 CLEANING COMPOSITION AND METHOD OF CLEANING THEREWITH Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP claimed
EP-0192630-A2 Aminomethylenephosphonate compositions MONSANTO EUROPE S.A./N.V. (BE) 1986-08-27 EP claimed