SCHEMBL19742957

SCHEMBL19742957

C=C(C)C(=O)OC(C)CCO[SiH](OCCCC)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
FAAH O00519 5/20 0.36
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 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
SCHEMBL10603114 0.82 TSHR (0.60) TSHRFAAHALDH1A1CNR1CNR2
SCHEMBL9402683 0.81 TSHR (0.51) TSHRFAAHALDH1A1THRBPOLB
SCHEMBL441439 0.81 FAAH (0.47) TSHRFAAHALDH1A1CNR1CNR2
SCHEMBL5079277 0.79 FAAH (0.54) TSHRFAAHALDH1A1CNR1CNR2
SCHEMBL3682218 0.79 TSHR (0.53) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL8927245 0.79 TSHR (0.49) TSHRFAAHPOLBAPEX1HTT
SCHEMBL19614589 0.78 FAAH (0.57) TSHRFAAHALDH1A1CNR1CNR2
SCHEMBL2312371 0.78 FAAH (0.57) TSHRFAAHALDH1A1CNR1CNR2
SCHEMBL1138701 0.78 FAAH (0.57) TSHRFAAHALDH1A1CNR1CNR2
SCHEMBL11195272 0.78 FAAH (0.57) TSHRFAAHALDH1A1CNR1CNR2

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-20170369728-A1 METHOD OF FORMING A PASSIVATED PIGMENT SLURRY FOR AN AQUEOUS TOPCOAT COATING COMPOSITION BASF CORPORATION 2017-12-28 US disclosed