SCHEMBL9312101

SCHEMBL9312101

CCC(O)C(=O)OCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15005698 0.83 CA1 (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL11385338 0.81 TSHR (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL14727820 0.81 ALDH1A1 (0.44) TSHRMGAMGAASIMGAM2
SCHEMBL1122754 0.79
SCHEMBL9099905 0.79
SCHEMBL820790 0.79
SCHEMBL12532807 0.78 TSHR (0.39) TSHRMGAMGAASIMGAM2
SCHEMBL4981942 0.77 PAM (0.41) TSHRALDH1A1
SCHEMBL27911733 0.77 TSHR (0.36) TSHRHSD17B10ALDH1A1
SCHEMBL9305101 0.77 TSHR (0.42) TSHRMGAMGAASIMGAM2

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
US-5371001-A Transesterification in the presence of carboxy-esterases or carboxyamidases E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-06 US disclosed
US-5254718-A Using enzyme catalyst; simplified separation, purification E. I. DU PONT DE NEMOURS & COMPANY (US) 1993-10-19 US disclosed
WO-1992015547-A1 ESTERS OF UNSYMMETRICALLY 2-SUBSTITUTED GLYCOLIC ACID DIMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed