SCHEMBL17453333

SCHEMBL17453333

C=CCC=C(C)C(=O)OC(=O)C(=C)CCCC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
CES1 P23141 2/20 0.32
FAAH O00519 1/20 0.31
HPGD P15428 1/20 0.31
CES2 O00748 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
SCHEMBL6067659 0.84 TSHR (0.34) TSHRCES1FAAHCES2
SCHEMBL10527168 0.84 TSHR (0.34) TSHRCES1FAAHCES2
SCHEMBL8554370 0.83 TSHR (0.38) TSHRFAAHHPGD
SCHEMBL4805653 0.82 TSHR (0.37) TSHRCES1HPGDCES2
SCHEMBL16618080 0.82 ALDH1A1 (0.32) TSHR
SCHEMBL8562077 0.80 TSHR (0.40) TSHRCES1CES2
SCHEMBL6916133 0.80 CES1 (0.46) TSHRCES1CES2
SCHEMBL1643438 0.79 EP300 (0.41) TSHRFAAH
SCHEMBL9654899 0.79 EP300 (0.41) TSHRFAAH
SCHEMBL8849384 0.79 ALDH1A1 (0.32) TSHR

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-20160024302-A1 POLYCARBONATE BLEND WITH LOW SMOKE GENERATION COVESTRO LLC (US) 2016-01-28 US disclosed