SCHEMBL7047181

SCHEMBL7047181

O=S(=O)(O)c1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 1/20 0.36
KIF11 P52732 6/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 2/20 0.35
EPHX2 P34913 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CA12 O43570 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SRD5A2 P31213 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL4638794 0.75 HSD11B1 (0.44) KIF11MAPTKMT2ARAB9ATRPV6
SCHEMBL6631406 0.71 LMNA (0.44) CA1CA2CA9CA12MAPT
SCHEMBL1376847 0.71 LMNA (0.44) CA1CA2CA12
SCHEMBL9320470 0.70 FAAH (0.36) CES2CES1KIF11
SCHEMBL28056597 0.69 CES2 (0.35) CES2CES1KIF11CA1CA2
SCHEMBL7047732 0.69 GAA (0.34) CES2CES1CA1CA2CA9
SCHEMBL3914014 0.69 ALDH1A1 (0.46) CA1CA2CA9CA12MAPT
SCHEMBL5503632 0.69 CYP3A4 (0.34) CES2CES1CA1CA2CA9
SCHEMBL2214673 0.69 TSHR (0.33)
SCHEMBL230582 0.69 KIF11 (0.55) CES2CES1KIF11CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765965-B1 Process for deying synthetic fibrous polyamid materials DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-06-04 EP disclosed
WO-2003006560-A2 AQUEOUS INK FORMULATIONS FOR INKJET PRINTING DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2003-01-23 WO disclosed
EP-1127923-A2 Water-soluble fibre-reactive dyestuffs, process for their preparation and their use DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-08-29 EP disclosed
EP-0971986-B1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DYSTAR L P (US) 2001-06-27 EP disclosed
EP-0838504-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-06-07 EP disclosed
US-6060591-A FOR DYEING A MATERIAL CONTAINING HYDROXY OR CARBOXAMIDE GROUPS OR BOTH DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND K.G. (DE) 2000-05-09 US disclosed
EP-0971986-A1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DyStar L.P. (US) 2000-01-19 EP disclosed
EP-0765918-B1 Reactive dye preparations DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-07-28 EP disclosed
US-5925745-A DIAMINO-1,3,5-TRIAZINE DYE DERIVATIVES; COLOR- AND WASHFASTNESS; CELLULOSE, WOOL DYSTAR, L.P. (US) 1999-07-20 US disclosed
US-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 US disclosed
WO-1998042785-A1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DYSTAR L. P. (US) 1998-10-01 WO disclosed
US-5810890-A USING SPECIFIED MIXTURE OF DYES; INCREASED BRIGHTNESS AND LEVELNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-22 US disclosed
US-5803930-A MIXTURE OF TWO DIFFERENT WATER SOLUBLE DYES; DYEING SYNTHETIC POLYAMIDES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-08 US disclosed
EP-0848042-A2 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-06-17 EP disclosed
EP-0838504-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-04-29 EP disclosed
EP-0629667-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1998-02-25 EP disclosed
EP-0765965-A2 Process for deying synthetic fibrous polyamid materials DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0765918-A2 Reactive dye preparations DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP disclosed
EP-0624630-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-17 EP disclosed