SCHEMBL5533901

SCHEMBL5533901

C=C(C)C(=O)OC(C)OCCOCCOC(C)OC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17049497 1.00 THRB (0.44) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL3267819 0.94 TSHR (0.47) THRBTSHRALDH1A1
SCHEMBL13943431 0.93 THRB (0.56) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL28390520 0.93 THRB (0.40) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL16349880 0.92 THRB (0.39) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL5356713 0.91 THRB (0.58) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL13807503 0.90 THRB (0.38) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL5354606 0.90 TSHR (0.44) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL1324055 0.87 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL12101451 0.87 THRB (0.52) THRBTSHRALDH1A1

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
WO-2007043354-A9 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2007-06-07 WO disclosed