SCHEMBL7031317

SCHEMBL7031317

C=Cc1ccccc1CCCCCCCBr

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
LIPG Q9Y5X9 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL7026110 1.00 ALDH1A1 (0.36) ALDH1A1THRATHRBLIPGTDP1
SCHEMBL7027241 0.98 ALDH1A1 (0.38) ALDH1A1THRATHRBLIPGTDP1
SCHEMBL8978744 0.92 ALDH1A1 (0.39) ALDH1A1THRATHRBTDP1
SCHEMBL6280633 0.90 ALDH1A1 (0.43) ALDH1A1THRATHRBLIPGTDP1
SCHEMBL6278393 0.90 ALDH1A1 (0.43) ALDH1A1THRATHRBLIPGTDP1
SCHEMBL6278186 0.90 ALDH1A1 (0.43) ALDH1A1THRATHRBLIPGTDP1
SCHEMBL6281460 0.90 ALDH1A1 (0.43) ALDH1A1THRATHRBLIPGTDP1
SCHEMBL6278185 0.90 ALDH1A1 (0.43) ALDH1A1THRATHRBLIPGTDP1
SCHEMBL6285088 0.90 ALDH1A1 (0.43) ALDH1A1THRATHRBLIPGTDP1
SCHEMBL6284419 0.88 ALDH1A1 (0.44) ALDH1A1THRATHRBLIPGTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1029847-B1 Process for producing hydroxyalkyl (meth)acrylates NIPPON CATALYTIC CHEM IND (JP) 2003-01-29 EP disclosed
US-6384267-B1 ESTERIFICATION OF (METH)ACRYLIC ACID WITH AN ALKYLENE OXIDE IN THE PRESENCE OF HEAT AND CHEMICAL RESISTANT ION EXCHANGE RESINS AS CATALYSTS NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-07 US disclosed
EP-0670184-B1 Method of demineralizing water or an aqueous solution MITSUBISHI CHEM CORP (JP) 2001-09-05 EP disclosed
EP-1029847-A1 Process for producing hydroxyalkyl (meth)acrylates NIPPON SHOKUBAI CO., LTD. (JP) 2000-08-23 EP disclosed
US-5518627-A DEMINERALIZATION, BASIC ANION EXCHANGE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-21 US disclosed
EP-0444643-B1 Anion exchanger MITSUBISHI CHEM CORP (JP) 1996-05-08 EP disclosed
EP-0670184-A2 Method of demineralizing water or an aqueous solution Mitsubishi Chemical Corporation (JP) 1995-09-06 EP disclosed
US-5350523-A For high temperature demineralization MITSUBISHI KASEI CORPORATION (JP) 1994-09-27 US disclosed
EP-0444643-A2 Anion exchanger Mitsubishi Chemical Corporation (JP) 1991-09-04 EP disclosed