SCHEMBL27489366

SCHEMBL27489366

CC(C)=CCC(O)CCCO.CC(C)=CCCC(O)CCO

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SQLE Q14534 4/20 0.37
TSHR P16473 1/20 0.33
THRB P10828 1/20 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
SCHEMBL7117598 0.87 ALDH1A1 (0.39) ALOX15ALDH1A1SQLE
SCHEMBL6480323 0.85 ALOX15 (0.61) ALOX15ALDH1A1SQLETSHRTHRB
SCHEMBL6480330 0.85 ALOX15 (0.61) ALOX15ALDH1A1SQLETSHRTHRB
SCHEMBL28420739 0.74 SQLE (0.44) ALOX15ALDH1A1SQLE
SCHEMBL15172005 0.72
SCHEMBL35907 0.72
SCHEMBL8062162 0.70 ALOX15 (0.76) ALOX15ALDH1A1SQLETSHR
SCHEMBL8062160 0.70 ALOX15 (0.76) ALOX15ALDH1A1SQLETSHR
SCHEMBL8062155 0.70 ALOX15 (0.76) ALOX15ALDH1A1SQLETSHR
SCHEMBL2867606 0.70 THRB (0.53) ALDH1A1THRB

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
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed