SCHEMBL28322142

SCHEMBL28322142

C=C(C)C(=O)OCCCCC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
THRB P10828 1/20 0.47
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL28030632 0.93 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11223652 0.87 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL30854793 0.84 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20745132 0.84 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.84 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25426 0.84 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5836895 0.83 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10925276 0.83 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL809304 0.83 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8699776 0.83 TSHR (0.67) 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
CN-104334588-B Neutral layer polymer compositions for directed self-assembly and methods thereof AZ电子材料卢森堡有限公司 2016-08-24 CN claimed
CN-105324716-B The method of template and manufacture self assembly pattern for self assembly AZ电子材料卢森堡有限公司 2019-09-27 CN disclosed