SCHEMBL2836544

SCHEMBL2836544

CCOCCOCCC=C(C)C(=O)OC(=O)C(C)=C(C)CCO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4359179 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL16196271 0.79 ALDH1A1 (0.37) ALDH1A1TSHRTHRB
SCHEMBL5569906 0.76 ALDH1A1 (0.37) ALDH1A1TSHRTHRB
SCHEMBL5166182 0.76 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL26666860 0.73 THRB (0.44) ALDH1A1TSHRTHRB
SCHEMBL27848077 0.73 ALDH1A1 (0.37) ALDH1A1TSHRTHRB
Acetic Acid SCHEMBL27340722 0.73 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL15333652 0.71 CYP2D6 (0.48) ALDH1A1TSHRTHRB
SCHEMBL289014 0.71 ALDH1A1 (0.45) ALDH1A1TSHRTHRB
SCHEMBL33662 0.71 ALDH1A1 (0.45) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173131-A1 PHASE-SEPARATED COMPOSITE FOR MICROFLUIDIC APPLICATIONS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2010-07-08 US disclosed
WO-2009047687-A2 MICROFLUIDIC DEVICE COMPRISING A MULTITUDE OF MICROPILLARS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2009-04-16 WO disclosed