SCHEMBL27645671

SCHEMBL27645671

C=C(C)C(=O)OC(F)(F)F.C=C(C)C(=O)OCCC(C)OC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL554544 0.87 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL26980719 0.78 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL268102 0.75 ALDH1A1 (0.48) TSHRTHRBALDH1A1TDP1
SCHEMBL24963 0.74 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
Methane SCHEMBL28151800 0.73 ALDH1A1 (0.46) TSHRTHRBALDH1A1TDP1
SCHEMBL29025167 0.73 TSHR (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27701673 0.73 THRB (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4593744 0.73 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7738340 0.73 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL18563462 0.72 TSHR (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1914245-A Thermoplastic elastomer composition and molded article KANEGAFUCHI CHEMICAL IND (JP) 2007-02-14 CN disclosed
CN-1914244-A Thermoplastic elastomer composition and molded article KANEGAFUCHI CHEMICAL IND (JP) 2007-02-14 CN disclosed