SCHEMBL13864969

SCHEMBL13864969

CC(C)(CCC1CO1)OC(=O)CCC(=O)OC(C)(C)CCC1CO1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 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
SCHEMBL14473470 0.89 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1GAA
SCHEMBL13864106 0.84 GAA (0.44) ALDH1A1TSHRMAPK1GAA
SCHEMBL14473467 0.83 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1
SCHEMBL14473384 0.82 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1GAA
SCHEMBL13864128 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9858083 0.81 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL13864092 0.80 TSHR (0.43) ALDH1A1TSHRMAPK1
SCHEMBL20969509 0.78 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1GAA
SCHEMBL13864123 0.78 TSHR (0.49) ALDH1A1TSHRMAPK1
SCHEMBL13864110 0.77 ELANE (0.35) ALDH1A1TSHRMAPK1

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-20090137777-A1 Polyepoxy compound, method for producing same, thermosetting resin composition containing same, cured product of such composition, and method for removing such cured product KANSAI PAINT CO., LTD. (JP) 2009-05-28 US disclosed
EP-1803758-A1 POLYEPOXY COMPOUND, METHOD FOR PRODUCING SAME, THERMOSETTING RESIN COMPOSITION CONTAINING SAME, CURED PRODUCT OF SUCH COMPOSITION, AND METHOD FOR REMOVING SUCH CURED PRODUCT KANSAI PAINT CO., LTD. (JP) 2007-07-04 EP disclosed