SCHEMBL7754200

SCHEMBL7754200

CCCC(C)(C)O.CCCC(C)(C)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
FDPS P14324 3/20 0.41
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GGPS1 O95749 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
SCHEMBL12496 1.00
SCHEMBL27389533 0.96
SCHEMBL27974692 0.96
SCHEMBL27386232 0.96
SCHEMBL27981924 0.96
SCHEMBL8759308 0.96
Hydrogen Peroxide SCHEMBL28379737 0.96
SCHEMBL27974495 0.96
Ammonia Solution, Strong SCHEMBL9756324 0.96
SCHEMBL27388912 0.96

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-2001044145-A1 METHOD FOR THE MANUFACTURE OF OLEFINS FORTUM OIL AND GAS OY (FI) 2001-06-21 WO disclosed