SCHEMBL1022608

SCHEMBL1022608

CCP(=O)([O-])C(C)=O.[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
SCHEMBL2919730 0.76
SCHEMBL1021880 0.72
SCHEMBL11131691 0.69
Phosphoric Acid SCHEMBL28729381 0.69 SLC34A1 (0.44)
Phosphoric Acid SCHEMBL28584778 0.68 CA1 (0.50)
SCHEMBL912062 0.68
Methyl Alcohol SCHEMBL28635488 0.67 LMNA (0.35)
SCHEMBL2990317 0.67
Phosphoric Acid SCHEMBL4743957 0.65 FFAR3 (0.54)
SCHEMBL6739104 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME KURARAY NORITAKE DENTAL INC. (JP) 2024-05-23 US disclosed
EP-4268791-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME Kuraray Noritake Dental Inc. (JP) 2023-11-01 EP disclosed
US-11607370-B2 Dental composition KURARAY NORITAKE DENTAL INC. (JP) 2023-03-21 US disclosed
CN-111225647-B Dental composition 可乐丽则武齿科株式会社 2023-02-28 CN disclosed
EP-3782598-B1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC (JP) 2023-02-15 EP disclosed
US-11547639-B2 Dental composition containing platinum nanoparticles KURARAY NORITAKE DENTAL INC. (JP) 2023-01-10 US disclosed
US-20220071852-A1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC. (JP) 2022-03-10 US disclosed
EP-3900694-A1 DENTAL ADHESIVE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2021-10-27 EP disclosed
US-20210186823-A1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2021-06-24 US disclosed
US-20210145701-A1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC. (JP) 2021-05-20 US disclosed
US-20100036075-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-11 US disclosed
EP-2133368-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-12-16 EP disclosed
EP-2112177-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2112178-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108664-A1 COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2070935-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE Kuraray Medical Inc. (JP) 2009-06-17 EP disclosed
EP-0009348-B1 PESTICIDALLY ACTIVE SALTS AND COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR MANUFACTURE AND USE FBC LIMITED (GB) 1983-07-20 EP disclosed
US-4339443-A Compounds and compositions FBC LIMITED (GB) 1982-07-13 US disclosed
EP-0009348-A2 Pesticidally active salts and compositions containing them and processes for their manufacture and use FBC LIMITED (GB) 1980-04-02 EP disclosed