Ethyl Acetate

Ethyl Acetate

SCHEMBL7212281

C=C(C(=O)OCCN)C(C)C.CCOC(C)=O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
THRB P10828 1/20 0.39
TSHR P16473 5/20 0.35
CYP1A2 P05177 1/20 0.33
CASP1 P29466 1/20 0.33
ALOX15 P16050 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CPB2 Q96IY4 1/20 0.30
GLO1 Q04760 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
SCHEMBL10757690 0.89 THRB (0.49) ALDH1A1LMNAHSD17B10THRBTSHR
SCHEMBL41031 0.88 TSHR (0.36) THRBTSHR
Acetic Acid SCHEMBL8433810 0.86 TSHR (0.37) THRBTSHR
Hydrochloric Acid SCHEMBL2533776 0.86 TSHR (0.35) LMNATHRBTSHR
Ammonia Solution, Strong SCHEMBL3663515 0.86 TSHR (0.35) THRBTSHR
Chloromethane SCHEMBL543091 0.84 TSHR (0.34) THRBTSHRCASP1
Sulfuric Acid SCHEMBL5068577 0.81 TSHR (0.32) THRBTSHR
SCHEMBL13372705 0.81 TSHR (0.33) THRBTSHR
SCHEMBL3210119 0.81 ALDH1A1 (0.48) ALDH1A1THRBTSHR
SCHEMBL4247267 0.79 THRB (0.31) THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620878-B1 Water soluble polymer comprising alkyl ethoxylated (meth)acrylates, -(meth)acrylamides, or -(meth)allyl ethers; protective coatings, optical fibers CIBA SPECIALITY CHEMICALS WATER TREATMENTS LIMITED (GB) 2003-09-16 US disclosed
EP-1163683-A1 WATER MISCIBLE LIQUID POLYMER COMPOSITION Ciba Specialty Chemicals Water Treatments Limited (GB) 2001-12-19 EP disclosed
WO-2000057433-A1 WATER MISCIBLE LIQUID POLYMER COMPOSITION CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2000-09-28 WO disclosed