SCHEMBL17829481

SCHEMBL17829481

C=C(C)C(=O)OCCOC(=O)OCC(F)(F)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2624987 0.87 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL543947 0.85 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL11964336 0.84 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26002882 0.82 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15113944 0.81 TSHR (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL18758066 0.81 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12994537 0.80 THRB (0.36) THRBTSHRALDH1A1
SCHEMBL16020960 0.80 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL2222135 0.80 TSHR (0.36) THRBTSHRALDH1A1
SCHEMBL15497018 0.80 TSHR (0.36) THRBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168296-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-16 US disclosed
US-20160168296-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-16 US disclosed