SCHEMBL19680485

SCHEMBL19680485

CCC(O)COC(C)CCO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.33
TSHR P16473 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
SCHEMBL13500017 0.84 TDP1 (0.41) TDP1TSHR
SCHEMBL9219277 0.84 THRB (0.46) TDP1THRBTSHR
SCHEMBL737250 0.82 TDP1 (0.38) TDP1TSHR
SCHEMBL12517107 0.81 TDP1 (0.40) TDP1TSHR
SCHEMBL2353818 0.81 TDP1 (0.40) TDP1TSHR
SCHEMBL5793288 0.80 TDP1 (0.32) TDP1TSHR
SCHEMBL5793286 0.80 TDP1 (0.32) TDP1TSHR
SCHEMBL5273525 0.79 TDP1 (0.48) TDP1THRBTSHR
SCHEMBL1957694 0.78 TDP1 (0.39) TDP1TSHR
Propylene Glycol SCHEMBL5833477 0.78 TDP1 (0.43) 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
US-20170349850-A1 LUBRICATING COMPOSITION WITH PHASE-CHANGE MATERIAL TOTAL MARKETING SERVICES (FR) 2017-12-07 US disclosed