SCHEMBL17868882

SCHEMBL17868882

C=CC(=O)OC(C)(C)C.C=CC(=O)OC(C)CC.C=CC(=O)OCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.58
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8504591 0.90 TSHR (0.72) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL648070 0.88 TSHR (0.75) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL6562857 0.82 TSHR (0.51) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL29612806 0.79 TSHR (0.58) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL30589890 0.78 TSHR (0.73) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL268430 0.78 TSHR (0.73) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL18215276 0.78
SCHEMBL34386 0.78
SCHEMBL18215270 0.78
Methacrylic Acid SCHEMBL28071865 0.77 TSHR (0.54) TSHRHPGDTHRBSMN1; SMN2

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-10919229-B2 Polymeric material for three-dimensional printing KIMBERLY-CLARK WORLDWIDE, INC. (US) 2021-02-16 US disclosed
US-20160185050-A1 Polymeric Material for Three-Dimensional Printing KIMBERLY-CLARK WORDLWIDE, INC. 2016-06-30 US disclosed