SCHEMBL2052196

SCHEMBL2052196

O=[Si]([O-])[O-].[CaH2].[CaH2].[Na+].[Na+].[P].[P]

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
SCHEMBL4821699 0.94
Water SCHEMBL28239912 0.89
SCHEMBL8840175 0.89
SCHEMBL26885 0.88
SCHEMBL9398161 0.88
SCHEMBL9126752 0.88
SCHEMBL9701931 0.88
SCHEMBL17236 0.88
SCHEMBL14993262 0.84
Zinc Ion SCHEMBL5468291 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307511-B2 Bioactive composites of polymer and glass and method for making same ORTHOVITA, INC. (US) 2019-06-04 US disclosed
US-20190125931-A1 Bioactive Load-bearing Composites ORTHOVITA, INC. 2019-05-02 US disclosed
US-10195308-B2 Bioactive load-bearing composites ORTHOVITA, INC. (US) 2019-02-05 US disclosed
US-20170232147-A1 BIOACTIVE COMPOSITES OF POLYMER AND GLASS AND METHOD FOR MAKING SAME STRYKER CORPORATION 2017-08-17 US disclosed
US-9662821-B2 Bioactive composites of polymer and glass and method for making same ORTHOVITA, INC. (US) 2017-05-30 US disclosed
US-20160279294-A1 BIOACTIVE LOAD-BEARING COMPOSITES STRYKER CORPORATION 2016-09-29 US disclosed
US-9381275-B2 Bioactive load-bearing composites ORTHOVITA, INC. (US) 2016-07-05 US disclosed
US-20150273751-A1 BIOACTIVE COMPOSITES OF POLYMER AND GLASS AND METHOD FOR MAKING SAME STRYKER CORPORATION 2015-10-01 US disclosed
US-20150133578-A1 BIOACTIVE LOAD-BEARING COMPOSITES STRYKER CORPORATION 2015-05-14 US disclosed
US-8968797-B2 Bioactive load-bearing composites ORTHOVITA, INC. (US) 2015-03-03 US disclosed
US-8778378-B2 Bioactive antibacterial bone graft materials ORTHOVITA, INC. (US) 2014-07-15 US disclosed
US-8597675-B2 Bioactive load-bearing composites ORTHOVITA, INC. (US) 2013-12-03 US disclosed
WO-2013116057-A1 BIOACTIVE ANTIBACTERIAL BONE GRAFT MATERIALS CONTAINING SILVER ORTHOVITA, INC. (US) 2013-08-08 WO disclosed
US-20130202670-A1 BIOACTIVE ANTIBACTERIAL BONE GRAFT MATERIALS CONTAINING SILVER ORTHOVITA, INC. (US) 2013-08-08 US disclosed
US-20120237568-A1 Bioactive Load-Bearing Composites Stryker Orthobiologics 2012-09-20 US disclosed
EP-2381897-A1 BIOACTIVE COMPOSITES OF POLYMER AND GLASS AND METHOD FOR MAKING SAME Orthovita, Inc. (US) 2011-11-02 EP disclosed
US-20110150963-A1 BIOACTIVE ANTIBACTERIAL BONE GRAFT MATERIALS STRYKER CORPORATION 2011-06-23 US disclosed
WO-2010077948-A1 BIOACTIVE COMPOSITES OF POLYMER AND GLASS AND METHOD FOR MAKING SAME ORTHOVITA, INC. (US) 2010-07-08 WO disclosed
US-20100168798-A1 BIOACTIVE COMPOSITES OF POLYMER AND GLASS AND METHOD FOR MAKING SAME ORTHOVITA, INC. 2010-07-01 US disclosed
US-20100129416-A1 BIOACTIVE LOAD-BEARING COMPOSITES ORTHOVITA, INC (US) 2010-05-27 US disclosed