SCHEMBL1820965

SCHEMBL1820965

O=C([O-])C1CCC=CO1.[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
Potassium Ion SCHEMBL26966251 0.96
SCHEMBL9257533 0.78
SCHEMBL1397121 0.78
SCHEMBL15780500 0.77
SCHEMBL5973062 0.77 POLB (0.33)
SCHEMBL7973620 0.77
SCHEMBL13072517 0.72
SCHEMBL9253272 0.72 PPM1B (0.34)
SCHEMBL420577 0.68 ALDH1A1 (0.40)
SCHEMBL10620023 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5660937-A CURABLE HEAT SENSITIVE MIXTURE COATINGS COMPRISING ONE OR TWO UNSATURATE ESTER COMPOUNDS WITH ETHER OR THIOETHER GROUP, THERMAL LATENT ACID CATALYST; STORAGE STABILITY, ACID RESISTANCE, WEATHERPROOFING; CLEAR COATINGS, OVERCOATINGS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1997-08-26 US claimed
US-20180057632-A1 CONDUCTIVE COMPOSITION FOR FORMING SOLAR CELL COLLECTOR ELECTRODE, SOLAR CELL, AND SOLAR CELL MODULE THE YOKOHAMA RUBBER CO., LTD. (JP) 2018-03-01 US disclosed
US-9072205-B1 Surface mounting method utilizing active resin composition SAN-EI KAGAKU CO., LTD. (JP) 2015-06-30 US disclosed
US-20150158103-A1 SURFACE MOUNTING METHOD UTILIZING ACTIVE RESIN COMPOSITION SAN-EI KAGAKU CO., LTD. (JP) 2015-06-11 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120168219-A1 ACTIVE RESIN COMPOSITION, SURFACE MOUNTING METHOD AND PRINTED WIRING BOARD SAN-EI KAGAKU CO., LTD (JP) 2012-07-05 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
EP-0451738-A2 Thermosetting compositions, thermal latent carboxyl compounds and methods of preparation thereof NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-10-16 EP disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0142969-B1 MILBEMYCIN 5-CARBONATE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1989-05-31 EP disclosed
US-4760054-A administering parasiticides, insecticides to the animal SANKYO COMPANY LIMITED (JP) 1988-07-26 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
US-4677190-A Synthesis and ring-opening polymerization of bicyclic lactones containing a tetrahydropyran ring UNIVERSITY PATENTS, INC. (US) 1987-06-30 US disclosed
EP-0210065-A1 6-Alkylidene penems BEECHAM GROUP PLC (GB) 1987-01-28 EP disclosed
EP-0142969-A1 Milbemycin 5-carbonate derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-05-29 EP disclosed
US-4112097-A QUINAZOLINES ABBOTT LABORATORIES (US) 1978-09-05 US disclosed
US-4026894-A 2(4(TETRAHYDRO-2-FUROYL)-PIPERAZINO)-4-AMINO-6,7-DIMETHOXYQUINAZOLINE OR 2-(4(TETRAHYDROPYRAN-2-CARBONYL)-PIPERAZINYL)-4-AMINO-6,7 -DIMETHOXYQUINAZOLINE ABBOTT LABORATORIES (US) 1977-05-31 US disclosed