SCHEMBL4733828

SCHEMBL4733828

CC(C)(C)OOC(C(=O)O)=C(C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
HSD17B10 Q99714 1/20 0.61
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
ELANE P08246 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CES1 P23141 5/20 0.35
SRC P12931 1/20 0.35
CES2 O00748 4/20 0.34
DAO P14920 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4733821 1.00 TSHR (0.61) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL8160923 0.85 TDP1 (0.47) TSHRALDH1A1TDP1HSD17B10ELANE
SCHEMBL8160928 0.85 TDP1 (0.47) TSHRALDH1A1TDP1HSD17B10ELANE
SCHEMBL4783194 0.82 TDP1 (0.41) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL4783192 0.82 TDP1 (0.41) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL22820 0.76 TSHR (1.00) TSHRALDH1A1TDP1HSD17B10F2
Benzene SCHEMBL9464161 0.76 TSHR (1.00) TSHRALDH1A1TDP1HSD17B10F2
Hydrogen Peroxide SCHEMBL29071816 0.76 TSHR (1.00) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL9183136 0.76 TSHR (1.00) TSHRALDH1A1TDP1HSD17B10F2
SCHEMBL2028147 0.74 TSHR (0.45) TSHRALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080250739-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-10-16 US claimed
US-20080250739-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-10-16 US disclosed
WO-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO disclosed
US-6093781-A STYRENIC MONOMER COPOLYMERIZED WITH NEW CLASS OF INITIATORS THAT CONTAIN BOTH A COPOLYMERIZABLE DOUBLE BOND AND AN ORGANIC PEROXIDE MOIETY; HIGH SPEED THERMOFORMING THE DOW CHEMICAL COMPANY (US) 2000-07-25 US disclosed
EP-0785964-B1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS DOW CHEMICAL CO (US) 1999-04-14 EP disclosed
US-5830924-A LOW DENSITY CLOSED CELL, BLOWING AGENTS THE DOW CHEMICAL COMPANY (US) 1998-11-03 US disclosed
EP-0785957-B1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM DOW CHEMICAL CO (US) 1998-05-20 EP disclosed
EP-0785957-A1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
EP-0785964-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
WO-1996011962-A1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed
WO-1996011970-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed