SCHEMBL7729239

SCHEMBL7729239

CC(C)(C)OOOC(=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5718414 0.93 ALDH1A1 (0.34) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL1141941 0.87 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL10883847 0.84 TSHR (0.45) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL1899004 0.79 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL7791410 0.78 TSHR (0.32) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL10355166 0.78 ALDH1A1 (0.32) TSHRTDP1ALDH1A1
SCHEMBL2771676 0.76 ALDH1A1 (0.42) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL7791408 0.76 TSHR (0.31) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL1899001 0.76 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL3892606 0.75 HCAR2 (0.38) TSHRTDP1ALDH1A1HSD17B10

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-0271462-B1 PERESTERS, THEIR PREPARATION AND USE AS POLYMERIZATION INITIATORS BEROL NOBEL AB (SE) 1990-09-26 EP claimed
US-6395924-B1 T-butylperoxy-cyclododecyl-oxalate PEROXID-CHEMIE GMBH & CO KG (DE) 2002-05-28 US disclosed