SCHEMBL8670336

SCHEMBL8670336

C=C(C)C(=O)OC(C)OS(=O)(=O)[O-].[Na+]

nearest known ligand 0.37

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.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL5906415 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL167768 0.81 TSHR (0.39) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL145161 0.79 TSHR (0.38) TSHRALDH1A1
SCHEMBL5109130 0.78 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL538063 0.77 TSHR (0.50) TSHRALDH1A1
SCHEMBL4767227 0.77 TSHR (0.39) TSHRALDH1A1
Trimethylammonium SCHEMBL662899 0.76 TSHR (0.36) TSHRALDH1A1
SCHEMBL6904341 0.75 TSHR (0.48) TSHRALDH1A1
SCHEMBL29154934 0.74 TSHR (0.38) TSHRALDH1A1
SCHEMBL28378382 0.74 TSHR (0.34) TSHRALDH1A1

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-5854191-A Graft copolymers of unsaturated monomers and sugars, a process for the production and the use thereof STOCKHAUSEN GMBH & CO. KG (DE) 1998-12-29 US disclosed
US-5854321-A Graft copolymers of unsaturated monomers and sugars, a process for the production and the use thereof STOCKHAUSEN GMBH & CO. KG (DE) 1998-12-29 US disclosed
US-5847065-A Dispersions of graft copolymers of unsaturated monomers and sugars STOCKHAUSEN GMBH & CO. KG (DE) 1998-12-08 US disclosed
US-5783616-A Graft copolymers of unsaturated monomers and sugars, a process for the production and the use thereof CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) 1998-07-21 US disclosed
US-5580941-A WATER SOFTENERS, DETERGENT ADDITIVE, DISPERSANTS CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) 1996-12-03 US disclosed
US-4283504-A Crosslinkable polymers containing acrylamidophenol units EASTMAN KODAK COMPANY (US) 1981-08-11 US disclosed
US-4239848-A CONTAINING AMINES WHICH REACT WITH CARBONYL GROUPS TO CROSSLINK POLYMER EASTMAN KODAK COMPANY (US) 1980-12-16 US disclosed
US-4207109-A Element for photographic use containing crosslinkable polymers having acrylamidophenol units EASTMAN KODAK COMPANY (US) 1980-06-10 US disclosed
US-4194063-A ENZYMATIC DECOMPOSITION TO AMMONIA WHICH REACTS WITH A BETA-DIKETONE AND FORMALDEHYDE TO FORM A DIHYDROPYRIDINE EASTMAN KODAK COMPANY (US) 1980-03-18 US disclosed
US-4115124-A WITH POLYVINYLIMIDAZOLE EASTMAN KODAK COMPANY (US) 1978-09-19 US disclosed
US-4106941-A PHOTOSTABILITY EASTMAN KODAK COMPANY (US) 1978-08-15 US disclosed
US-4064168-A HOMO- AND COPOLYMERS THEREOF ARE USEFUL AS VESICULATING MATRICES EASTMAN KODAK COMPANY (US) 1977-12-20 US disclosed
US-4057428-A SILVER HALIDE EMULSION EASTMAN KODAK COMPANY (US) 1977-11-08 US disclosed
US-4035187-A TRANSITION METAL-ION COMPLEXES EASTMAN KODAK COMPANY (US) 1977-07-12 US disclosed
US-4032518-A N-(VINYLPHENYL) SULFONAMIDES EASTMAN KODAK COMPANY (US) 1977-06-28 US disclosed
US-4011201-A POLYMERS OF MONOMERS CONTAINING ACTIVE METHYLENE GROUPS AND OTHER ETHYLENICALLY UNSATURATED MONOMERS EASTMAN KODAK COMPANY (US) 1977-03-08 US disclosed
US-3939130-A Polymers of monomers containing active methylene groups and other ethylenically unsaturated monomers INDICON INC. (US) 1976-02-17 US disclosed