SCHEMBL5153206

SCHEMBL5153206

CCC(C)(C)C(=O)CC(=O)OC.CCC(C)(C)C(=O)CC(=O)OC.C[O-].C[O-].[Ti+2]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.34
TET2 Q6N021 1/20 0.33
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FKBP1A P62942 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL5149525 0.94 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL1230604 0.94 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL1230743 0.90 MGAM (0.35) MGAMGAASIMGAM2TSHR
SCHEMBL1230797 0.86 MGAM (0.35) MGAMGAASIMGAM2TSHR
SCHEMBL1230147 0.86 MGAM (0.35) MGAMGAASIMGAM2TSHR
Acetaldehyde SCHEMBL6053469 0.82 MGAM (0.35) MGAMGAASIMGAM2TSHR
SCHEMBL1361662 0.81 MGAM (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL6053533 0.80 MGAM (0.33) MGAMGAASIMGAM2TSHR
SCHEMBL1362311 0.78 MGAM (0.32) MGAMGAASIMGAM2TSHR
SCHEMBL1361274 0.78 MGAM (0.32) MGAMGAASIMGAM2TSHR

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