SCHEMBL1907288

SCHEMBL1907288

C=C(C)C(=O)OCC[CH]CCCNCCN

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
PAOX Q6QHF9 1/20 0.35
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL3098708 0.86 TSHR (0.47) TSHRTHRBPAOXALDH1A1POLB
SCHEMBL2515158 0.84 TSHR (0.53) TSHRTHRBPAOXALDH1A1POLB
SCHEMBL4650020 0.82 TSHR (0.50) TSHRTHRBPAOXALDH1A1POLB
Hydrochloric Acid SCHEMBL11790765 0.81 TSHR (0.49) TSHRTHRBPAOXALDH1A1POLB
Acetic Acid SCHEMBL11303299 0.80 TSHR (0.47) TSHRTHRBPAOXALDH1A1POLB
SCHEMBL23754643 0.77 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20537360 0.77 TSHR (0.49) TSHRTHRBPAOXPOLBAPEX1
SCHEMBL2720245 0.76 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL810800 0.76 THRB (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16114400 0.75 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1

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-2493947-B1 USE OF SALTS OF BRANCHED FATTY ACIDS AS CATALYSTS FOR CONVERTING STAR-SHAPED ALCOHOLS USING ISOCYANATES HENKEL AG & CO KGAA (DE) 2013-11-20 EP disclosed
EP-2181137-B1 MIXTURES OF MULTIFUNCTIONAL STELLATE PREPOLYMERS PRODUCTION USE AND COATINGS MADE THEREOF HENKEL AG & CO KGAA (DE) 2013-04-10 EP disclosed
EP-2493947-A1 USE OF SALTS OF BRANCHED FATTY ACIDS AS CATALYSTS FOR CONVERTING STAR-SHAPED ALCOHOLS USING ISOCYANATES Henkel AG & Co. KGaA (DE) 2012-09-05 EP disclosed
WO-2011051092-A1 USE OF SALTS OF BRANCHED FATTY ACIDS AS CATALYSTS FOR CONVERTING STAR-SHAPED ALCOHOLS USING ISOCYANATES HENKEL AG & CO. KGAA (DE) 2011-05-05 WO disclosed
WO-2010072456-A1 USE OF STAR-SHAPED POLYMERS HAVING PERIPHERAL NEGATIVELY CHARGED GROUPS AND/OR PERIPHERAL SILYL GROUPS FOR FINISHING SURFACES HENKEL AG & CO. KGAA (DE) 2010-07-01 WO disclosed
EP-2181137-A2 MIXTURES OF MULTIFUNCTIONAL STELLATE PREPOLYMERS PRODUCTION USE AND COATINGS MADE THEREOF Henkel AG & Co. KGaA (DE) 2010-05-05 EP disclosed
WO-2009024450-A2 MIXTURES OF MULTIFUNCTIONAL STELLATE PREPOLYMERS PRODUCTION USE AND COATINGS MADE THEREOF HENKEL AG & CO. KGAA (DE) 2009-02-26 WO disclosed
EP-1987080-A1 MULTIFUNCTIONAL STAR-SHAPED PREPOLYMERS, THEIR PREPARATION AND USE Sustech GmbH & Co. KG (DE) 2008-11-05 EP disclosed
WO-2007096056-A1 MULTIFUNCTIONAL STAR-SHAPED PREPOLYMERS, THEIR PREPARATION AND USE SUSTECH GMBH & CO. KG (DE) 2007-08-30 WO disclosed