SCHEMBL4889419

SCHEMBL4889419

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 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
SCHEMBL20577726 0.89 LMNA (0.46) TSHRTDP1ALDH1A1LMNA
SCHEMBL8060349 0.88 TSHR (0.50) TSHRTDP1ALDH1A1LMNA
SCHEMBL18030180 0.88 TSHR (0.50) TSHRTDP1ALDH1A1LMNA
SCHEMBL4889432 0.85 TSHR (0.47) TSHRTDP1ALDH1A1LMNA
SCHEMBL5616880 0.81 TSHR (0.50) TSHRTDP1ALDH1A1LMNA
SCHEMBL4884825 0.81 TSHR (0.38) TSHRTDP1ALDH1A1LMNA
SCHEMBL4887222 0.79 TSHR (0.41) TSHRLMNA
SCHEMBL4892426 0.79 TSHR (0.41) TSHRLMNA
Butanol SCHEMBL27942644 0.78
Butanol SCHEMBL27733434 0.78

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