SCHEMBL3748655

SCHEMBL3748655

CC=C(C)C(=O)OCCCCOC(=O)C(C)=CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.38
NAAA Q02083 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
HPGD P15428 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 1/20 0.34
THRB P10828 1/20 0.34
FAAH O00519 1/20 0.34
ACHE P22303 3/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL10456655 1.00 TSHR (0.47) TSHRALDH1A1CYP3A4ATMNAAA
SCHEMBL32686846 0.98 TSHR (0.50) TSHRALDH1A1CYP3A4ATMNAAA
Ethylene Glycol SCHEMBL1931733 0.93 TSHR (0.42) TSHRALDH1A1CYP3A4ATMNAAA
SCHEMBL11207343 0.93 TSHR (0.42) TSHRALDH1A1CYP3A4ATMNAAA
SCHEMBL25427 0.91 TSHR (0.41) TSHRALDH1A1CYP3A4ATMNAAA
SCHEMBL1326102 0.91 TSHR (0.41) TSHRALDH1A1CYP3A4ATMNAAA
SCHEMBL2418959 0.91 TSHR (0.60) TSHRALDH1A1CYP3A4ATMNAAA
SCHEMBL10602340 0.91 TSHR (0.60) TSHRALDH1A1CYP3A4ATMNAAA
SCHEMBL2418958 0.91 TSHR (0.60) TSHRALDH1A1CYP3A4ATMNAAA
SCHEMBL418569 0.90 THRB (0.41) TSHRALDH1A1ATMNPSR1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115373-B1 POLYACETAL MOULDING COMPOSITIONS WITH HIGH IMPACT RESISTANCE CELANESE CORPORATION (US) 1990-12-05 EP claimed
EP-0115373-A2 Polyacetal moulding compositions with high impact resistance CELANESE CORPORATION (US) 1984-08-08 EP claimed
CN-102245588-B Ketal amide compound, its preparation method and application SEGETIS, INC. (US) 2016-05-04 CN disclosed
US-8537304-B2 Liquid crystal display device and manufacturing method therefor HITACHI DISPLAYS, LTD. (JP) 2013-09-17 US disclosed
CN-101573243-B Low hysteresis rubber elastomer MICHELIN SOC TECH 2012-05-30 CN disclosed
US-20100289984-A1 LIQUID CRYSTAL DISPLAY DEVICE AND MANUFACTURING METHOD THEREFOR MAGNOLIA PURPLE CORPORATION (JP) 2010-11-18 US disclosed
CN-101573243-A Low hysteresis rubber elastomer MICHELIN SOC TECH (FR) 2009-11-04 CN disclosed
CN-101563209-A Cushion gum MICHELIN SOC TECH (CH) 2009-10-21 CN disclosed
CN-101534870-A Hydrogel wound dressing and biomaterials formed in situ and their uses ULURU INC (US) 2009-09-16 CN disclosed
CN-1043397-A UV-curable composition for making solder mask coatings with coverability M & T CHEMICALS INC (US) 1990-06-27 CN disclosed
EP-0040002-B1 WATER-DISPERSIBLE ENERGY CURABLE HETEROCYCLIC GROUP-CONTAINING POLYESTERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-08-14 EP disclosed
US-4309529-A GRAPHIC ARTS, PHOTORESISTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-01-05 US disclosed
EP-0040002-A1 Water-dispersible energy curable heterocyclic group-containing polyesters MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-11-18 EP disclosed
EP-0035538-A1 RADIATION POLYMERIZED HYDROPHILIC INTERPOLYMERS OF UNSATURATED CARBOXYLIC ACID AND ESTERS The B.F. GOODRICH Company (US) 1981-09-16 EP disclosed
EP-0035538-A4 RADIATION POLYMERIZED HYDROPHILIC INTERPOLYMERS OF UNSATURATED CARBOXYLIC ACID AND ESTERS. GOODRICH CO B F (US) 1981-09-01 EP disclosed
WO-1981000714-A1 RADIATION POLYMERIZED HYDROPHILIC INTERPOLYMERS OF UNSATURATED CARBOXYLIC ACID AND ESTERS GOODRICH CO B F (US) 1981-03-19 WO disclosed
EP-0020529-A4 PHOTOPOLYMERIZED HYDROPHILIC INTERPOLYMERS OF UNSATURATED CARBOXYLIC ACID AND ESTERS. GOODRICH CO B F (US) 1981-01-23 EP disclosed
EP-0020529-A1 PHOTOPOLYMERIZED HYDROPHILIC INTERPOLYMERS OF UNSATURATED CARBOXYLIC ACID AND ESTERS. GOODRICH CO B F (US) 1981-01-07 EP disclosed
WO-1980000844-A1 PHOTOPOLYMERIZED HYDROPHILIC INTERPOLYMERS OF UNSATURATED CARBOXYLIC ACID AND ESTERS GOODRICH CO B F (US) 1980-05-01 WO disclosed
US-4167464-A Photopolymerized hydrophilic interpolymers of unsaturated carboxylic acid and esters THE B. F. GOODRICH COMPANY (US) 1979-09-11 US disclosed