SCHEMBL27778682

SCHEMBL27778682

C=CC(=O)OCC1(C)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.35
PARP1 P09874 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
SCHEMBL13231932 0.98 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3688278 0.84 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29198038 0.83 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13231924 0.82 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12146459 0.80 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL384221 0.79 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29402118 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5852462 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12146082 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13231921 0.77 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4

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
CN-101684086-B Onium salt compound, polymer compound comprising the salt compound, chemically amplified resist composition comprising the polymer compound, and method for patterning using the composition KOREA KUMHO PETROCHEM CO LTD 2014-08-27 CN disclosed
CN-101684086-A Onium salt compound, polymer compound comprising the salt compound, chemically amplified resist composition comprising the polymer compound, and method for patterning using the composition KOREA KUMHO PETROCHEM CO LTD 2010-03-31 CN disclosed