SCHEMBL3853858

SCHEMBL3853858

C=CCP(=O)([O-])CC=C.[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
Potassium Ion SCHEMBL18203957 0.94 SLC34A1 (0.32)
SCHEMBL692843 0.94
SCHEMBL2540635 0.81
SCHEMBL2546204 0.75
Lithium Ion SCHEMBL2542181 0.75
SCHEMBL2545706 0.75
Potassium Ion SCHEMBL2538052 0.75
SCHEMBL2543713 0.75
SCHEMBL28687853 0.71
Potassium Ion SCHEMBL1170244 0.71

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041847-A High-heat-conductivity flame-retardant polypropylene composite material and preparation method thereof 重庆会通科技有限公司 2023-05-02 CN claimed
EP-3091023-A1 ADDITIVE USED IN POLYMER AND PREPARATION METHOD THEREOF Guangzhou Kingsky Material Co., Ltd. (CN) 2016-11-09 EP claimed
CN-117756846-A Dialkyl phosphinic acid or salt thereof, and preparation method and application thereof 中国石油化工股份有限公司 2024-03-26 CN disclosed
CN-116041847-A High-heat-conductivity flame-retardant polypropylene composite material and preparation method thereof 重庆会通科技有限公司 2023-05-02 CN disclosed
EP-3091023-A1 ADDITIVE USED IN POLYMER AND PREPARATION METHOD THEREOF Guangzhou Kingsky Material Co., Ltd. (CN) 2016-11-09 EP disclosed
EP-1805107-B1 PROCESS FOR THE PREPARATION OF HIGHLY PURIFIED, DIALKYL PHOSPHINIC ACIDS RHODIA (US) 2009-10-14 EP disclosed
EP-1805107-A4 PROCESS FOR THE PREPARATION OF HIGHLY PURIFIED, DIALKYL PHOSPHINIC ACIDS RHODIA (US) 2008-02-13 EP disclosed
EP-1805107-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURIFIED, DIALKYL PHOSPHINIC ACIDS Rhodia, Inc. (US) 2007-07-11 EP disclosed
US-7049463-B2 Process for the preparation of highly purified, dialkyl phosphinic acids RHODIA INC. (US) 2006-05-23 US disclosed
WO-2006047545-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURIFIED, DIALKYL PHOSPHINIC ACIDS RHODIA INC. (US) 2006-05-04 WO disclosed
US-20060089508-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURIFIED, DIALKYL PHOSPHINIC ACIDS ITALMATCH CHEMICALS SPA (IT) 2006-04-27 US disclosed