SCHEMBL13623220

SCHEMBL13623220

C=CC(=O)OCC1(C)COCCOC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL384221 0.93 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13949190 0.90 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17850002 0.83 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12904846 0.80 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13968333 0.80 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16093949 0.78 EPHX1 (0.41) ALDH1A1SMN1; SMN2THRBEPHX1
SCHEMBL30283423 0.78 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1316484 0.77 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27778682 0.77 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13771703 0.76 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4

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-7622199-B2 An aluminoxane and UV curable acrylic monomer such as trimethylolpropane triacrylate; humidity resistance for thin profile OLEDs that ensures reliability and suitable for mass production FUTABA CORPORATION (JP) 2009-11-24 US disclosed