SCHEMBL28297110

SCHEMBL28297110

C=C(C)C.C=C(C)C(=O)OCCC/C(=C/C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL612356 0.98 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16243745 0.98 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL611316 0.94 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL94668 0.89 THRB (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4946808 0.89 THRB (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL297292 0.89 THRB (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28623616 0.87 THRB (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6547122 0.76 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL75261 0.76 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12704590 0.76 TSHR (0.60) 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-110244513-A Colored photosensitive composition, black photo spacer and color filter 三菱化学株式会社 2019-09-17 CN disclosed
CN-104081280-B Colored photosensitive composition, black photo spacer and color filter 三菱化学株式会社 2019-05-31 CN disclosed