SCHEMBL9474635

SCHEMBL9474635

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

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 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL44412 0.87 TSHR (0.44) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL28818457 0.83 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL9474634 0.79 TSHR (0.36) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL251106 0.76
SCHEMBL3758868 0.76 TSHR (0.36) TSHRTDP1
SCHEMBL28896406 0.76 ALDH1A1 (0.48) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL44413 0.75 TSHR (0.42) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL10428724 0.74 TSHR (0.46) TSHRTDP1
Bicarbonate SCHEMBL21647643 0.73 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL8626720 0.72 TSHR (0.40) 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
CN-112384560-B Composition for crosslinking crosslinkable polymers comprising a mixture of organic peroxides including 1,3-1, 4-bis (tert-butylperoxyisopropyl) benzene 阿科玛法国公司 2022-11-01 CN disclosed
US-5230711-A DYEING OF CELLULOSE WITH SOLUBLE SULPHUR DYES WITHOUT REDUCING AGENT CASSELLA AG (DE) 1993-07-27 US disclosed