SCHEMBL7753307

SCHEMBL7753307

C=CCOC(=O)C(=O)OC(C)(C)CCOOC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 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
SCHEMBL7758017 0.78 ALDH1A1 (0.30) TDP1TSHR
SCHEMBL8329500 0.78
SCHEMBL7753374 0.78 ALDH1A1 (0.38) TDP1SMN1; SMN2TSHR
SCHEMBL9276745 0.77 SMN1; SMN2 (0.40) TDP1SMN1; SMN2TSHR
SCHEMBL7757402 0.76
SCHEMBL7753319 0.76
SCHEMBL7757407 0.74
SCHEMBL7930937 0.71 TSHR (0.35) TDP1TSHR
SCHEMBL177943 0.69 CYP3A4 (0.48) TDP1SMN1; SMN2TSHR
SCHEMBL11299670 0.68 TSHR (0.35) TDP1SMN1; SMN2TSHR

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