SCHEMBL2458853

SCHEMBL2458853

CCC(C(=O)O)C(CC)(CCC(F)(F)F)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32

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
SCHEMBL1122815 0.82 HSPD1 (0.34) HSPD1BLMHSPE1
SCHEMBL29139332 0.81 HSPD1 (0.33) HSPD1BLMHSPE1
SCHEMBL28501006 0.80 HSPD1 (0.39) HSPD1BLMHSPE1
SCHEMBL19138765 0.79 BLM (0.32) HSPD1BLMHSPE1
SCHEMBL690093 0.77 HSPD1 (0.44) HSPD1BLMHSPE1
SCHEMBL7438539 0.74 GRM2 (0.31) HSPD1BLMHSPE1
SCHEMBL7436795 0.74 GRM2 (0.31) HSPD1BLMHSPE1
SCHEMBL17376895 0.74 CA2 (0.31) HSPD1BLMHSPE1
SCHEMBL11676251 0.71 MAPT (0.39) HSPD1BLMHSPE1
SCHEMBL28221463 0.70 CYP2D6 (0.34) HSPD1BLMHSPE1

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-2011107371-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2011-09-09 WO disclosed