SCHEMBL4892783

SCHEMBL4892783

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8534173 0.95 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL11316919 0.83 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL95766 0.83 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11557378 0.81 ALDH1A1 (0.46) ALDH1A1
SCHEMBL10437273 0.80 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL4881462 0.79 ALDH1A1 (0.50) TSHRALDH1A1TDP1
Methylamine SCHEMBL11723718 0.78 TDP1 (0.38) TSHRALDH1A1TDP1
SCHEMBL14973793 0.78 ALDH1A1 (0.48) TSHRALDH1A1
SCHEMBL29099903 0.78 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL14384216 0.78 TSHR (0.45) TSHRALDH1A1TDP1

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