SCHEMBL19185656

SCHEMBL19185656

C=C(C)C(=O)OCCC(C)(C)OCCC(C)(C)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL27375881 0.83 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18545341 0.81 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL24221990 0.81 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18401023 0.78 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11805058 0.78 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL15037023 0.78 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4383348 0.77 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19201602 0.77 BTN3A1 (0.31)
SCHEMBL18860205 0.77 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19308439 0.76 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1

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-2604663-B1 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-09 EP disclosed
US-9718971-B2 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-01 US disclosed