SCHEMBL20100418

SCHEMBL20100418

C=C(C)C(=O)OCC(=O)OCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
TSHR P16473 5/20 0.46
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NLRP3 Q96P20 4/20 0.38
MAPT P10636 1/20 0.37
GLO1 Q04760 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL1131192 0.98 THRB (0.53) THRBMGAMGAASIMGAM2
SCHEMBL17245077 0.85 TSHR (0.47) THRBMGAMGAASIMGAM2
SCHEMBL10150486 0.85 TSHR (0.47) THRBMGAMGAASIMGAM2
SCHEMBL25963036 0.84 TSHR (0.52) THRBMGAMGAASIMGAM2
SCHEMBL14489333 0.83 TSHR (0.45) THRBMGAMGAASIMGAM2
SCHEMBL12914686 0.83 ALDH1A1 (0.50) THRBMGAMGAASIMGAM2
SCHEMBL14489044 0.83 TSHR (0.45) THRBMGAMGAASIMGAM2
SCHEMBL2628305 0.83 THRB (0.55) THRBMGAMGAASIMGAM2
SCHEMBL25525754 0.82 GAA (0.56) THRBMGAMGAASIMGAM2
SCHEMBL19409375 0.82 THRB (0.64) THRBMGAMGAASIMGAM2

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-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-20180118968-A1 TOPCOAT COMPOSITIONS CONTAINING FLUORINATED THERMAL ACID GENERATORS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2018-05-03 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed