SCHEMBL745950

SCHEMBL745950

N=C(N)S(=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
Potassium Ion SCHEMBL831516 0.93
Sulfurous Acid SCHEMBL28203988 0.80
Guanidine SCHEMBL27667765 0.79 MEN1 (0.32)
SCHEMBL6666963 0.71
Guanidine SCHEMBL735063 0.71
SCHEMBL42684 0.69
Sulfurous Acid SCHEMBL8055706 0.68 CA1 (0.33)
Sulfurous Acid SCHEMBL27680050 0.68 CA1 (0.46)
Sulfurous Acid SCHEMBL28462400 0.68 CA1 (0.46)
Sulfurous Acid SCHEMBL8055712 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1759053-B1 PROCESS FOR DEINKING WASTE PAPER KEMIRA OYJ (FI) 2008-01-23 EP claimed
US-20070246175-A1 Process for Deinking Waste Paper KEMIRA OYJ (FI) 2007-10-25 US claimed
EP-1759053-A1 PROCESS FOR DEINKING WASTE PAPER Kemira Oyj (FI) 2007-03-07 EP claimed
WO-2005124016-A1 PROCESS FOR DEINKING WASTE PAPER KEMIRA OYJ (FI) 2005-12-29 WO claimed
EP-2971350-B1 PROCESSES AND COMPOSITIONS FOR BRIGHTNESS IMPROVEMENT IN PAPER PRODUCTION ECOLAB USA INC (US) 2023-09-06 EP disclosed
EP-2431189-B1 Recording medium CANON KK (JP) 2015-11-25 EP disclosed
US-8449957-B2 Recording medium CANON KABUSHIKI KAISHA (JP) 2013-05-28 US disclosed
US-20120070591-A1 RECORDING MEDIUM CANON KABUSHIKI KAISHA (JP) 2012-03-22 US disclosed
EP-2431189-A2 Recording medium Canon Kabushiki Kaisha (JP) 2012-03-21 EP disclosed
US-7731818-B2 Process for deinking waste paper KEMIRA OYJ (FI) 2010-06-08 US disclosed
EP-1759053-B1 PROCESS FOR DEINKING WASTE PAPER KEMIRA OYJ (FI) 2008-01-23 EP disclosed
US-20070246175-A1 Process for Deinking Waste Paper KEMIRA OYJ (FI) 2007-10-25 US disclosed
US-5852125-A Fluororubber, a process for its production and its use, as well as a process for producing fluororubber moldings and/or coatings BAYER AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5696216-A CONTAINING VINYLIDENE FLUORIDE AND PERFLUORO(PEROXYALKYLVINYL ETHER) BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5648566-A Methyleneperfluorocycloalkanes and their use in the production of thermoplastic fluororesins BAYER AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
US-5426165-A Heat resistance, dimensional stability BAYER AKTIENGESELLSCHAFT (DE) 1995-06-20 US disclosed
US-5313003-A Fluorinated monomers for heat resistant polymers BAYER AKTIENGESELLSCHAFT (DE) 1994-05-17 US disclosed
US-5247036-A Crosslinking is possible forming a dimensional stable polymer for molding materials BAYER AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed
US-5227441-A Molding materials, vinyl halide copolymers BAYER AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5214115-A UNCROSSLINKED COPOLYMERS CONTAINING REACTIVE DOUBLE BONDS OF FLUORINE MONOMERS AND UNCONJUGATED DIENES AND A PROCESS FOR THEIR PRODUCTION BAYER AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed