SCHEMBL4890807

SCHEMBL4890807

CCC(C)CC(CC)CC(O)CCO

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL1581214 0.87 THRB (0.43) THRBALDH1A1TSHR
SCHEMBL2421450 0.84 THRB (0.46) THRBALDH1A1TSHR
SCHEMBL4891431 0.83 THRB (0.32) THRBALDH1A1TSHR
SCHEMBL21092119 0.83 THRB (0.40) THRBALDH1A1TSHR
SCHEMBL18871788 0.82 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL11212284 0.82 TSHR (0.36) TSHR
SCHEMBL7754304 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL4652999 0.76 TSHR (0.33) TSHR
SCHEMBL9724865 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4885201 0.75 ALDH1A1 (0.45) ALDH1A1TSHR

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-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed