SCHEMBL9106326

SCHEMBL9106326

CCC(C)(C)OOC(=O)CCC(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
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
SCHEMBL9149195 0.89 ALDH1A1 (0.42) TSHRALDH1A1TP53
SCHEMBL16113761 0.82 EGLN1 (0.41) TSHRALDH1A1TDP1
SCHEMBL7195841 0.82 TSHR (0.32) TSHRALDH1A1TDP1
SCHEMBL27338277 0.82 ALDH1A1 (0.46) TSHRALDH1A1TDP1
SCHEMBL9015649 0.82 TSHR (0.37) TSHRALDH1A1TP53TDP1
SCHEMBL6755770 0.78 ALDH1A1 (0.31) TSHRALDH1A1TDP1
SCHEMBL27338298 0.78 DGKA (0.39) TSHRALDH1A1TP53
SCHEMBL8022278 0.78 ALDH1A1 (0.33) TSHRALDH1A1TDP1
SCHEMBL5073348 0.77 ALDH1A1 (0.36) TSHRALDH1A1TDP1
SCHEMBL5009818 0.77 DGKA (0.47) TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP disclosed