SCHEMBL7933523

SCHEMBL7933523

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL83176 0.82 TSHR (0.36) TSHRALDH1A1LMNACYP3A4TDP1
SCHEMBL7928598 0.79 TSHR (0.41) TSHRALDH1A1TDP1
SCHEMBL7928663 0.78
SCHEMBL7933420 0.77 TET2 (0.35) ALDH1A1
SCHEMBL7921512 0.77 TSHR (0.35) TSHRALDH1A1TDP1
SCHEMBL7927505 0.75 CA1 (0.32) TSHRALDH1A1TDP1
SCHEMBL7927628 0.73 ALDH1A1 (0.37) TSHRALDH1A1LMNACYP3A4
SCHEMBL11886901 0.73 LMNA (0.35) TSHRADRA1ALMNACYP3A4TDP1
SCHEMBL83024 0.72
SCHEMBL7930043 0.72

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