SCHEMBL7072053

SCHEMBL7072053

CC=CCCOCC(C)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
Propylene Glycol SCHEMBL27600898 0.83 TDP1 (0.43) HSD17B10TDP1ALDH1A1TSHR
SCHEMBL11389663 0.82
SCHEMBL31589126 0.82 TSHR (0.31) HSD17B10TSHR
SCHEMBL8835663 0.77
SCHEMBL8835661 0.77
SCHEMBL7585409 0.77
SCHEMBL6439065 0.77
SCHEMBL32669042 0.76
SCHEMBL6424186 0.75 TSHR (0.30) TSHR
SCHEMBL6424183 0.75 TSHR (0.30) TSHR

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-2003106587-A1 DOUBLE EMULSION BASED DRILLING FLUIDS M-I L.L.C. (US) 2003-12-24 WO claimed