SCHEMBL5677264

SCHEMBL5677264

Nc1cc(S(=O)(=O)CCO)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.61
GAA P10253 4/20 0.61
MAPT P10636 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA9 Q16790 1/20 0.61
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
POLB P06746 1/20 0.44
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LOX P28300 1/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5674072 0.86 CA2 (0.59) CA2GAAMAPTCA12CA1
SCHEMBL3369801 0.85 CA2 (0.60) CA2GAAMAPTCA12CA1
SCHEMBL10348670 0.84 CA2 (0.59) CA2GAAMAPTCA12CA1
SCHEMBL9338910 0.84 ALDH1A1 (0.62) CA2GAAMAPTCA12CA1
SCHEMBL5675225 0.84 CA2 (0.59) CA2GAAMAPTCA12CA1
SCHEMBL10606415 0.82 CA2 (0.81) CA2GAAMAPTCA12CA1
SCHEMBL28100405 0.81 GAA (0.66) CA2GAAMAPTCA12CA1
SCHEMBL634041 0.81 GAA (0.66) CA2GAAMAPTCA12CA1
SCHEMBL7070254 0.81 CA2 (0.56) CA2GAAMAPTCA12CA1
SCHEMBL9404072 0.81 CA2 (0.55) CA2GAAMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105645-B2 Water-soluble fiber-reactive dyes, method for the production and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-09-12 US claimed
US-20050198748-A1 Copper complexes of monoazo dyes; diazotization of a sulfonyl-o-hydroxyaniline, coupling to a 1-hydroxy-3-sulfonate-6-aminonaphthalene, coppering with copper sulfate pentahydrate; improved washfastness, photostability, and compatibility with other dyes which fix at lower temperatures DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-15 US claimed
US-4334076-A Process for the preparation of sulfuric acid semiester ethylsulfonyl compounds of aminophenols, aminobenzanilides or phenylpyrazolones by esterification with sulfuric acid and/or sulfur trioxide in a kneader HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 US claimed
US-7105645-B2 Water-soluble fiber-reactive dyes, method for the production and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-09-12 US disclosed
EP-1501898-B1 WATER-SOLUBLE FIBER-REACTIVE DYES, METHOD FOR THE PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2006-02-01 EP disclosed
US-20050198748-A1 Copper complexes of monoazo dyes; diazotization of a sulfonyl-o-hydroxyaniline, coupling to a 1-hydroxy-3-sulfonate-6-aminonaphthalene, coppering with copper sulfate pentahydrate; improved washfastness, photostability, and compatibility with other dyes which fix at lower temperatures DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-15 US disclosed
CN-1030984-C Method for preparing amino aryl-beta-sulfatoethyl sulfone HOECHST AG (DE) 1996-02-14 CN disclosed
US-5463100-A Spraying a mixture of an aminoaryl beta-hydroxyethylsulfone and sulfuric acid into a hot gas stream; drying, esterification and any hydrolysis take place simultaneously; granules HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
US-5463031-A Printing, dyeing cellulose and organonitrogen compounds BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0395951-B1 Polyfunctional reactive dyes BAYER AG (DE) 1994-08-24 EP disclosed
EP-0418664-B1 Reactive dyes BAYER AG (DE) 1994-06-22 EP disclosed
EP-0144701-A2 Process for the preparation of 2-amino-1-hydroxy-4-or-5-(beta-sulfatoethylsulfonyl)-benzene compounds and their use for the synthesis of fiber-reactive compounds HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-19 EP disclosed
US-4485041-A Water-soluble metal free or copper triazino-bis-[hydroxy-naphthylamino]-disazo dyestuffs containing fiber reactive groups, and a process for dyeing or printing cellulose fibers HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-27 US disclosed
US-4370145-A Copper formazan compounds, processes for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed
US-4336190-A Copper complex formazan compounds, process for their manufacture and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-22 US disclosed
US-4334076-A Process for the preparation of sulfuric acid semiester ethylsulfonyl compounds of aminophenols, aminobenzanilides or phenylpyrazolones by esterification with sulfuric acid and/or sulfur trioxide in a kneader HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed
US-4237050-A Process for the preparation of water-soluble phthalocyanine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4229171-A Process for the preparation of fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4110246-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1978-08-29 US disclosed
US-4033980-A Phthalocyanine dyestuffs and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed