SCHEMBL5607699

SCHEMBL5607699

C=C(C)C(=O)OCCCCCCCCOC(=O)C(=C)C.C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.83
THRB P10828 1/20 0.59
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
HTT P42858 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 1/20 0.44
NAAA Q02083 1/20 0.41
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 1/20 0.39
ACHE P22303 6/20 0.38

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
SCHEMBL22554400 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3502350 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554423 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22023212 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554404 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554413 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554427 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554429 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554406 1.00 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3503496 1.00 TSHR (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066842-A1 Polymerization Inhibitor Compositions, Their Preparation, and Their Use ALBEMARLE CORPORATION (US) 2007-03-22 US disclosed