SCHEMBL28491972

SCHEMBL28491972

C=COC(=O)OCOC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL94524 0.85 THRB (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8452792 0.83 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL14827538 0.83 TSHR (0.32) TSHRALDH1A1
SCHEMBL18868416 0.83 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL16946636 0.82 ALDH1A1 (0.37) TSHRALDH1A1TDP1
SCHEMBL148579 0.81 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8766941 0.80 THRB (0.58) TSHRTHRBALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL14976774 0.79 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8448581 0.78 ALDH1A1 (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL278688 0.78 TSHR (0.47) 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-106797019-B Electrode for electrochemical cell 日产自动车株式会社 2020-11-10 CN disclosed