SCHEMBL9752436

SCHEMBL9752436

C=CCCOC(=O)OOOC(OOOC(=O)OCCC=C)C(C)CCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.33
ALPL P05186 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
SCHEMBL12415167 0.69 TSHR (0.55) TDP1TSHR
SCHEMBL9752493 0.67 ALDH1A1 (0.30)
SCHEMBL9752564 0.67
SCHEMBL12214046 0.66
SCHEMBL9475279 0.66 TDP1 (0.41) TDP1TSHR
SCHEMBL47886 0.66 CA2 (0.42) TSHR
SCHEMBL9301011 0.65 TSHR (0.43) TDP1TSHR
SCHEMBL9752447 0.65
SCHEMBL9782140 0.64 TDP1 (0.35) TDP1
SCHEMBL29912494 0.63 TSHR (0.47) TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO claimed