SCHEMBL2460285

SCHEMBL2460285

CC(=O)CC(C)(OO)OOC(C)(CC(C)=O)OOO

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL72719 0.91 TSHR (0.50) TSHRGAAMGAMSIMGAM2
Tert-Butyl Hydroperoxide SCHEMBL11199804 0.87 TSHR (0.46) TSHRGAAMGAMSIMGAM2
SCHEMBL11313847 0.83 TSHR (0.67) TSHRGAAMGAMSIMGAM2
SCHEMBL14861984 0.82 TSHR (0.41) TSHRGAA
SCHEMBL11316645 0.79 TSHR (0.39) TSHR
SCHEMBL45349 0.71 TSHR (0.48) TSHRGAAMGAMSIMGAM2
Butanone SCHEMBL8530458 0.70 TSHR (0.73) TSHRGAA
SCHEMBL7948509 0.70 TSHR (0.46) TSHRGAA
SCHEMBL7947521 0.70 TSHR (0.52) TSHR
SCHEMBL6285207 0.69 TSHR (0.80) TSHR

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
EP-2366725-B1 Composite material MOBILTRADE SA (CH) 2016-03-16 EP disclosed
EP-2366725-A1 Composite material Temi S.r.l. (IT) 2011-09-21 EP disclosed