SCHEMBL3407069

SCHEMBL3407069

C=C(C)C(=O)OCCCCC1(O)C2CC3CC(C2)CC1C3

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
EPHX2 P34913 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
SCHEMBL3415852 0.90 THRB (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL75487 0.80 ALDH1A1 (0.41) TSHRTHRBALDH1A1
SCHEMBL13183197 0.79 EPHX2 (0.32) EPHX2
SCHEMBL18822998 0.78 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13779646 0.76 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL28720532 0.75 EPHX2 (0.37) TSHREPHX2
SCHEMBL6416963 0.75 EPHX2 (0.36) TSHRALDH1A1EPHX2
SCHEMBL13779645 0.74 CYP17A1 (0.42) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7121885 0.74 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
Water SCHEMBL28119124 0.74 TSHR (0.73) TSHRTHRBPOLBAPEX1HTT

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-20100233620-A1 Copolymer and photoresist composition including the same CHEIL INDUSTRIES, INC. (KR) 2010-09-16 US disclosed
WO-2009069848-A1 NOVEL COPOLYMERS AND PHOTORESIST COMPOSITION INCLUDING THE SAME CHEIL INDUSTRIES INC. (KR) 2009-06-04 WO disclosed