SCHEMBL379129

SCHEMBL379129

[H+].[Na+].[Na+].[O-]B([O-])[O-]

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
SCHEMBL6678589 1.00
SCHEMBL379185 1.00
SCHEMBL11652173 1.00
SCHEMBL2941169 1.00
Potassium Ion SCHEMBL21714273 0.93
Lithium Ion SCHEMBL21714352 0.93
SCHEMBL8925484 0.91
SCHEMBL1568303 0.91
SCHEMBL2817974 0.91
SCHEMBL168198 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9410039-B2 Process for preparing surface-reacted calcium carbonate and its use OMYA INTERNATIONAL AG (CH) 2016-08-09 US claimed
US-9403988-B2 Process for preparing surface-reacted calcium carbonate and its use OMYA INTERNATIONAL AG (CH) 2016-08-02 US claimed
US-20140319412-A1 PROCESS FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA INTERNATIONAL AG (CH) 2014-10-30 US claimed
US-8809582-B2 Process for preparing surface-reacted calcium carbonate and its use OMYA INTERNATIONAL AG (CH) 2014-08-19 US claimed
US-8785687-B2 For preparing surface-reacted calcium carbonate and its use OMYA INTERNATIONAL AG (CH) 2014-07-22 US claimed
US-20130324762-A1 PROCESS FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA INTERNATIONAL AG (CH) 2013-12-05 US claimed
US-20130323489-A1 PROCESS FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA INTERNATIONAL AG (CH) 2013-12-05 US claimed
US-20120142965-A1 FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA INTERNATIONAL AG (CH) 2012-06-07 US claimed
EP-2264109-B1 Process for preparing surface-reacted calcium carbonate and its use OMYA DEVELOPMENT AG (CH) 2012-01-25 EP claimed
WO-2010146531-A1 PROCESS FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA DEVELOPMENT AG (CH) 2010-12-23 WO claimed
EP-2264109-A1 Process for preparing surface-reacted calcium carbonate and its use Omya Development AG (CH) 2010-12-22 EP claimed
US-9410039-B2 Process for preparing surface-reacted calcium carbonate and its use OMYA INTERNATIONAL AG (CH) 2016-08-09 US disclosed
US-9403988-B2 Process for preparing surface-reacted calcium carbonate and its use OMYA INTERNATIONAL AG (CH) 2016-08-02 US disclosed
US-20140319412-A1 PROCESS FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA INTERNATIONAL AG (CH) 2014-10-30 US disclosed
US-8809582-B2 Process for preparing surface-reacted calcium carbonate and its use OMYA INTERNATIONAL AG (CH) 2014-08-19 US disclosed
US-20130324762-A1 PROCESS FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA INTERNATIONAL AG (CH) 2013-12-05 US disclosed
US-20120142965-A1 FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA INTERNATIONAL AG (CH) 2012-06-07 US disclosed
EP-2264109-B1 Process for preparing surface-reacted calcium carbonate and its use OMYA DEVELOPMENT AG (CH) 2012-01-25 EP disclosed
WO-2010146531-A1 PROCESS FOR PREPARING SURFACE-REACTED CALCIUM CARBONATE AND ITS USE OMYA DEVELOPMENT AG (CH) 2010-12-23 WO disclosed
EP-2264109-A1 Process for preparing surface-reacted calcium carbonate and its use Omya Development AG (CH) 2010-12-22 EP disclosed