SCHEMBL7158908

SCHEMBL7158908

CC(C)(O)CC(C(C)(C)O)S(=O)(=O)[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
SCHEMBL3390044 0.77
SCHEMBL2817270 0.76
SCHEMBL773140 0.65
SCHEMBL10634760 0.64 ALDH1A1 (0.35)
SCHEMBL12983281 0.61
SCHEMBL11869102 0.61 FDPS (0.32)
SCHEMBL28931769 0.61 ALDH1A1 (0.30)
SCHEMBL1030921 0.59 ALDH1A1 (0.41)
SCHEMBL5317920 0.59 ALDH1A1 (0.39)
SCHEMBL7777187 0.59 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545119-B2 Magnetic particles in polyesterurethane binder TOYO BOSEKI KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-20030022022-A1 Magnetic recording media and thermoplastic polyurethane resins therefor TOYO BOSEKI KABUSHIKI KAISHA (JP) 2003-01-30 US disclosed
EP-1035145-A2 Magnetic recording media and thermoplastic polyurethane resins therefor Toyo Boseki Kabushiki Kaisha (JP) 2000-09-13 EP disclosed
EP-0368172-B1 A MAGNETIC RECORDING MEDIUM Toyo Boseki Kabushiki Kaisha (JP) 1993-09-08 EP disclosed
US-5009960-A Magnetic recording medium prepared with polyurethane resin modified by a bicyclic amide acetal ASHLAND OIL, INC. (US) 1991-04-23 US disclosed
EP-0368172-A2 A magnetic recording medium Toyo Boseki Kabushiki Kaisha (JP) 1990-05-16 EP disclosed