SCHEMBL28304530

SCHEMBL28304530

C=C(C)C(=O)OCCCC1(CC)CCCOO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL28060791 0.84 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27819753 0.81 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1357232 0.76 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28304529 0.76 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2882378 0.75 ALDH1A1 (0.40) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1357092 0.75 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2883101 0.72 TSHR (0.43) TSHRTHRBALDH1A1POLB
SCHEMBL27847987 0.72 TSHR (0.49) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1357125 0.71 THRB (0.49) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27902369 0.70 THRB (0.56) TSHRTHRBALDH1A1POLBAPEX1

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