SCHEMBL9615552

SCHEMBL9615552

[CH2]C(C)(COC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 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
SCHEMBL6249922 0.86 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL51592 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL15337 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL4457550 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL396824 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1902319 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1371111 0.82 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL17698929 0.82 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL21496026 0.82 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL962842 0.82 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB

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
US-5096799-A Carboxy grou-containing binder, photoinitiator with lophine dimer, carboxy and ester group-containing compound to prevent discoloration, monomer; storage stable FUJI PHOTO FILM CO., LTD. (JP) 1992-03-17 US disclosed