SCHEMBL4836260

SCHEMBL4836260

O=C1CCC(=O)C(C(=O)[O-])C1.[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
SCHEMBL30037802 0.77 MCL1 (0.33)
SCHEMBL15659971 0.76 TLR4 (0.34)
SCHEMBL10689890 0.71 MCL1 (0.44)
Ethylene SCHEMBL11788681 0.68 BRD4 (0.40)
Bicarbonate SCHEMBL29253173 0.67 TRIM24 (0.41)
SCHEMBL17178414 0.65 MCL1 (0.52)
SCHEMBL17178413 0.65 MCL1 (0.52)
SCHEMBL28191147 0.64
Acetic Acid SCHEMBL29253198 0.63 CA1 (0.56)
SCHEMBL7914021 0.63 TRIM24 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US claimed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO claimed
US-20050032660-A1 Storing a composition in an alcoholic gel TRUOX, INC. 2005-02-10 US claimed
WO-1999023294-A1 PROCESSES OF BLEACHING FABRICS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023196-A1 LIQUID AQUEOUS BLEACHING COMPOSITIONS PACKAGED IN A UV RESISTANT CONTAINER THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023197-A1 PROCESSES OF SOAKING FABRICS WITH A LIQUID AQUEOUS PERSULFATE SALT-CONTAINING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023195-A1 MULTI-PURPOSE LIQUID AQUEOUS BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
EP-0915150-A1 Processes of soaking fabrics with a liquid aqueous persulfate salt-containing composition THE PROCTER & GAMBLE COMPANY (US) 1999-05-12 EP claimed
EP-0913463-A1 Multi-purpose liquid aqueous bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0913462-A1 Liquid aqueous bleaching compositions packaged in a UV-resistant container THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0913515-A1 Process of bleaching fabrics THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
US-7465411-B2 Catalyst-mediated in-situ generation of dioxirane TRUOX, INC. (US) 2008-12-16 US disclosed
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US disclosed
US-20070219108-A1 Catalyst-mediated in-situ generation of dioxirane TRUOX, INC. 2007-09-20 US disclosed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO disclosed
WO-1999023294-A1 PROCESSES OF BLEACHING FABRICS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO disclosed
EP-0915150-A1 Processes of soaking fabrics with a liquid aqueous persulfate salt-containing composition THE PROCTER & GAMBLE COMPANY (US) 1999-05-12 EP disclosed
EP-0913463-A1 Multi-purpose liquid aqueous bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
EP-0913515-A1 Process of bleaching fabrics THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
EP-0913462-A1 Liquid aqueous bleaching compositions packaged in a UV-resistant container THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed