SCHEMBL12434699

SCHEMBL12434699

C=C(C)C(=O)OCC(C)COCCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
ALOX15 P16050 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
SCHEMBL3319370 0.85 TSHR (0.75) TSHRTHRBTDP1ALDH1A1POLB
SCHEMBL11659781 0.84 TSHR (0.53) TSHRTHRBHSD17B10TDP1ALDH1A1
SCHEMBL20001266 0.83 TSHR (0.72) TSHRTHRBTDP1ALDH1A1POLB
SCHEMBL12255565 0.82 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL17489178 0.82 TSHR (0.64) TSHRTHRBTDP1ALDH1A1POLB
SCHEMBL2156739 0.80 TSHR (0.62) TSHRTHRBTDP1ALDH1A1POLB
SCHEMBL1902015 0.80 TSHR (0.62) TSHRTHRBTDP1ALDH1A1POLB
SCHEMBL8067583 0.80 TSHR (0.49) TSHRTHRBHSD17B10TDP1ALDH1A1
SCHEMBL21843129 0.80 TSHR (0.49) TSHRTHRBHSD17B10TDP1ALDH1A1
SCHEMBL14922216 0.80 TSHR (0.49) TSHRTHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735509-B2 Use of polyorganosiloxanes in the processing and vulcanisation of rubber Schill + Seilacher “Struktol” GmbH (DE) 2014-05-27 US disclosed
US-8436098-B2 Use of polyorganosiloxanes in the processing and vulcanization of rubber Schill + Seilacher “Struktol” GmbH (DE) 2013-05-07 US disclosed
US-20130046059-A1 USE OF POLYORGANOSILOXANES IN THE PROCESSING AND VULCANISATION OF RUBBER SCHILL + SEILACHER "STRUKTOL" GMBH (DE) 2013-02-21 US disclosed
US-20110178249-A1 USE OF POLYORGANOSILOXANES IN THE PROCESSING AND VULCANIZATION OF RUBBER SCHILL + SEILACHER "STRUKTOL" GMBH (DE) 2011-07-21 US disclosed