SCHEMBL7756027

SCHEMBL7756027

C[C](C)CC(C)OOC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL8822671 0.77 PGD (0.35) TSHRTDP1
SCHEMBL26665097 0.75 TSHR (0.35) TSHRTDP1MAPK1
SCHEMBL28737659 0.74 TDP1 (0.35) TDP1
SCHEMBL167171 0.74 TSHR (0.39) TSHRTDP1MAPK1
SCHEMBL5024916 0.72 TSHR (0.37) TSHRTDP1
SCHEMBL25340967 0.71 TSHR (0.32) TSHRTDP1MAPK1
SCHEMBL30308420 0.71 TSHR (0.32) TSHRTDP1MAPK1
SCHEMBL22126719 0.71 MAPK1 (0.41) TSHRTDP1MAPK1
SCHEMBL11421925 0.70 TSHR (0.35) TSHRTDP1
SCHEMBL13822279 0.70 TSHR (0.30) TSHRTDP1MAPK1

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-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed