SCHEMBL5149685

SCHEMBL5149685

CCOC(=O)CC(=O)C(F)(F)F.CCOC(=O)CC(=O)C(F)(F)F.C[O-].C[O-].[Ti+2]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.38
FAAH O00519 8/20 0.38
MAPT P10636 1/20 0.37
CES1 P23141 5/20 0.36
CES2 O00748 3/20 0.36
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 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
SCHEMBL5148170 0.96 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL77331 0.96 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7406648 0.94 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3265478 0.94 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL10546276 0.94 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7210415 0.94 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2157670 0.93 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25223809 0.86 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6248725 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15286697 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749859-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-09-11 EP disclosed
US-20070287780-A1 Curable Composition KANEKA CORPORATION (JP) 2007-12-13 US disclosed
EP-1749859-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-07 EP disclosed