SCHEMBL7052595

SCHEMBL7052595

C=C(C)C(=O)OCCC[CH]CCCl

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
THRB P10828 1/20 0.49
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.35
HPGD P15428 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
SCHEMBL23754643 0.91 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7715736 0.84 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8699776 0.84 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9170446 0.84 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5836895 0.84 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27735819 0.83 TSHR (0.71) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5689405 0.82 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5686979 0.81 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5686970 0.81 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1931997 0.81 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT

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
EP-1299454-A1 METHOD FOR ISOLATING POLYORGANOSILOXANES Wacker-Chemie GmbH (DE) 2003-04-09 EP disclosed
WO-2002002672-A1 METHOD FOR ISOLATING POLYORGANOSILOXANES WACKER-CHEMIE GMBH (DE) 2002-01-10 WO disclosed