SCHEMBL4829494

SCHEMBL4829494

CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Na+].[Sn+4]

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
SCHEMBL29494622 0.94 ALDH1A1 (0.30)
SCHEMBL677 0.94
SCHEMBL5373458 0.94 ALDH1A1 (0.30)
SCHEMBL6508310 0.94
SCHEMBL28572070 0.94 ALDH1A1 (0.30)
Water SCHEMBL31341811 0.88
Hydrochloric Acid SCHEMBL3703847 0.88
Water SCHEMBL11545002 0.88
Lithium Ion SCHEMBL21384946 0.88
Phosphine SCHEMBL38660669 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391476-B1 PHOTOREACTIVE COMPOSITION SEKISUI CHEMICAL CO LTD (JP) 2015-12-09 EP disclosed
US-7419527-B2 Increased density particle molding PARTICLE SCIENCES, INC. (US) 2008-09-02 US disclosed
US-7312013-B2 Photoreactive composition SEKISUI CHEMICAL CO., LTD. (JP) 2007-12-25 US disclosed
US-7297706-B2 Certain glycine derivatives as factor Xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY (US) 2007-11-20 US disclosed
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS WILEY MICHAEL R 2007-03-29 US disclosed
US-7078415-B2 Certain glycine derivatives as factor Xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY (US) 2006-07-18 US disclosed
EP-1455787-B1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS LILLY CO ELI (US) 2005-06-22 EP disclosed
US-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 US disclosed
WO-2004101200-A2 INCREASED DENSITY PARTICLE MOLDING PARTICLE SCIENCES, INC. (US) 2004-11-25 WO disclosed
US-20040221682-A1 Increased density particle molding PARTICLE SCIENCES, INC. 2004-11-11 US disclosed
WO-2001085138-A2 PARTICULATE ENCAPSULATION OF LIQUID BEADS AVEKA, INC. (US) 2001-11-15 WO disclosed
US-6177540-B1 MERCAPTAN CORE AND THREE OR MORE POLYMER SEGMENTS WHICH EXTEND RADIALLY FROM THE MERCAPTAN CORE INCLUDING CARBOXYLIC ACID MOIETIES NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2001-01-23 US disclosed
US-6139613-A Multilayer pigments and their manufacture AVEKA, INC. (US) 2000-10-31 US disclosed
EP-1017746-A1 HYDROPHILIC MATERIALS AND THEIR METHOD OF PREPARATION SUNSMART, INC. (US) 2000-07-12 EP disclosed
US-6045650-A A LIQUID COATING OF AN OXIDIZABLE MATERIAL CONTAINING AT LEAST ONE ELEMENT OTHER THAN CARBON, HYDROGEN, OXYGEN AND NITROGEN IS APPLIED ONTO THE SURFACE OF A SUBSTRATE, OXIDIZING THE OXIDIZABLE MATERIAL TO FORM AN OXIDE COATING SUNSMART, INC. (US) 2000-04-04 US disclosed
US-5962082-A Process for applying liquid coatings to solid particulate substrates AVEKA, INC. (US) 1999-10-05 US disclosed
WO-1999014276-A1 HYDROPHILIC MATERIALS AND THEIR METHOD OF PREPARATION SUNSMART, INC. (US) 1999-03-25 WO disclosed
US-5068291-A Method of preparing pressure sensitive adhesives with accelerated cure rate NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-11-26 US disclosed
US-4292231-A CARBOXY AND CARBAMATE-FUNCTIONAL VINYL INTERPOLYMER ASHLAND OIL, INC. (US) 1981-09-29 US disclosed
US-4005247-A ACRYLATE INTERPOLYMER, METAL ALKOXIDE ASHLAND OIL, INC. (US) 1977-01-25 US disclosed