SCHEMBL21132373

SCHEMBL21132373

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6419715 0.95
SCHEMBL8721132 0.86 THRB (0.59) THRBALDH1A1
SCHEMBL13569224 0.86 THRB (0.59) THRBALDH1A1
SCHEMBL14388243 0.86 THRB (0.59) THRBALDH1A1
SCHEMBL3856429 0.84 THRB (0.46) THRBALDH1A1TSHRTDP1
SCHEMBL17642229 0.83 TSHR (0.39) ALDH1A1TSHRMAPK1TDP1
SCHEMBL25949401 0.83 THRB (0.62) THRBALDH1A1
SCHEMBL1888683 0.83 THRB (0.62) THRBALDH1A1
SCHEMBL8635328 0.80 ALDH1A1 (0.45) THRBALDH1A1TSHRMAPK1ALOX15
SCHEMBL22456 0.80 TSHR (0.41) ALDH1A1TSHRMAPK1TDP1

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
WO-2019118416-A1 PHOSPHONO-PHOSPHATE CONTAINING COMPOUNDS AND POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2019-06-20 WO disclosed