SCHEMBL14944755

SCHEMBL14944755

C=C(C)C(=O)OCCCOC1CC(OCCCOC(=O)C(=C)C)CC(OCCCOC(=O)C(=C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.46
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAAA Q02083 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33

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
SCHEMBL13879037 0.89 THRB (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL13401005 0.86 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL182045 0.82 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9162964 0.80 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11600594 0.80 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL18101451 0.78 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL25426 0.78 TSHR (0.79) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5144090 0.78 TSHR (0.79) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3871346 0.78 THRB (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL22726277 0.78 TSHR (0.53) 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
US-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed