SCHEMBL5059424

SCHEMBL5059424

CC(C#N)(CS(=O)(=O)[O-])N=NC(C)(C#N)CS(=O)(=O)[O-].[Na+].[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
SCHEMBL8563444 0.77
SCHEMBL8563446 0.77
SCHEMBL18631529 0.76
SCHEMBL295986 0.67
SCHEMBL295985 0.67
SCHEMBL11112643 0.65 PTGS1 (0.30)
SCHEMBL11112645 0.65 PTGS1 (0.30)
SCHEMBL14973 0.64 TSHR (0.32)
SCHEMBL14974 0.64 TSHR (0.32)
SCHEMBL26739217 0.64 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902272-B2 cosmetics and light filtering; Bragg diffracts light in the visible and NIR regions in both wet and dry states; monodisperse nanospheres that self assemble and maintain their diffraction; Maintaining the concentration of initiator during polymerization; ionic monomer introduces charged surface groups The University of Pittsburgh of the Commonwealth System of High Education (US) 2011-03-08 US claimed
US-20080108730-A1 Highly diffracting, color shifting, polymerized crystalline colloidal arrays of highly charged polymer spheres, paints and coatings and processes for making the same PITTSBURGH, UNIVERSITY OF 2008-05-08 US claimed
WO-2007146418-A2 HIGHLY DIFFRACTING, COLOR SHIFTING, POLYMERIZED CRYSTALLINE COLLOIDAL ARRAYS OF HIGHLY CHARGED POLYMER SPHERES, PAINTS AND COATINGS AND PROCESSES FOR MAKING THE SAME UNIVERSITY OF PITTSBURGH (US) 2007-12-21 WO claimed
CN-110325173-B Skin cosmetic 日清纺控股株式会社 2022-06-14 CN disclosed
US-11225541-B2 Production method for disc-shaped polymer particles NISSHINBO HOLDINGS INC. (JP) 2022-01-18 US disclosed
US-20210246250-A1 PRODUCTION METHOD FOR DISC-SHAPED POLYMER PARTICLES NISSHINBO HOLDINGS INC. (JP) 2021-08-12 US disclosed
EP-3792287-A1 PRODUCTION METHOD FOR DISC-SHAPED POLYMER PARTICLES Nisshinbo Holdings Inc. (JP) 2021-03-17 EP disclosed
EP-3070138-B1 ULTRAVIOLET SCATTERING AGENT AND APPLICATION THEREFOR NISSHINBO HOLDINGS INC (JP) 2019-01-02 EP disclosed
EP-3070138-A1 ULTRAVIOLET SCATTERING AGENT AND APPLICATION THEREFOR Nisshinbo Holdings Inc. (JP) 2016-09-21 EP disclosed
US-20160262988-A1 ULTRAVIOLET SCATTERING AGENT AND APPLICATION THEREFOR NISSHINBO HOLDINGS, INC. (JP) 2016-09-15 US disclosed
US-7902272-B2 cosmetics and light filtering; Bragg diffracts light in the visible and NIR regions in both wet and dry states; monodisperse nanospheres that self assemble and maintain their diffraction; Maintaining the concentration of initiator during polymerization; ionic monomer introduces charged surface groups The University of Pittsburgh of the Commonwealth System of High Education (US) 2011-03-08 US disclosed
US-20080108730-A1 Highly diffracting, color shifting, polymerized crystalline colloidal arrays of highly charged polymer spheres, paints and coatings and processes for making the same PITTSBURGH, UNIVERSITY OF 2008-05-08 US disclosed
WO-2007146418-A2 HIGHLY DIFFRACTING, COLOR SHIFTING, POLYMERIZED CRYSTALLINE COLLOIDAL ARRAYS OF HIGHLY CHARGED POLYMER SPHERES, PAINTS AND COATINGS AND PROCESSES FOR MAKING THE SAME UNIVERSITY OF PITTSBURGH (US) 2007-12-21 WO disclosed
US-20070142595-A1 Oval-spherical organic polymer particle and process for producing the same NISSHINBO INDUSTRIES, INC. (JP) 2007-06-21 US disclosed
US-20070054123-A1 Oval-spherical organic polymer particles and method of production NISSHINBO INDUSTRIES, INC. (JP) 2007-03-08 US disclosed
EP-1721911-A1 OVAL-SPHERICAL ORGANIC POLYMER PARTICLE AND PROCESS FOR PRODUCING THE SAME Nisshinbo Industries, Inc. (JP) 2006-11-15 EP disclosed
US-5216065-A Controlling monomer addition THE MEAD CORPORATION (US) 1993-06-01 US disclosed