SCHEMBL28304529

SCHEMBL28304529

C=C(C)C(=O)OCCCC1(CC)COCCO1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.40
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL27819753 0.89 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1357232 0.84 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28060791 0.83 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1357125 0.79 THRB (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28304530 0.76 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1357092 0.74 THRB (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21385361 0.74 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
Oxirane SCHEMBL3776781 0.74 THRB (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27932384 0.73 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1317456 0.73 TSHR (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109997080-A Photoinitiator and shading photosensitive resin composition comprising it 株式会社三养社 2019-07-09 CN disclosed