SCHEMBL7930167

SCHEMBL7930167

CC(C)(C)OOC(=O)C(=O)OOC(C)(C)C#CC(C)(C)OOC(=O)C(=O)OOC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL477327 0.84 TSHR (0.44) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL7930024 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7927470 0.81 MEN1 (0.32)
SCHEMBL7933499 0.79
SCHEMBL7921502 0.77 KMT2A (0.31)
SCHEMBL7927531 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8032007 0.75 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL1219338 0.75 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL4378823 0.75 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL10613510 0.75 TSHR (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850929-B1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOFINA CHEM INC (US) 2001-06-27 EP disclosed
US-5837782-A POLYMERIZATION CATALYST ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-17 US disclosed
EP-0850929-A1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed