SCHEMBL6842491

SCHEMBL6842491

CCC(OC)N(OCCO)OCCO

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Methacrylic Acid SCHEMBL14994193 0.85
SCHEMBL8141418 0.83
SCHEMBL6842515 0.83 TSHR (0.31) ALDH1A1
SCHEMBL11058305 0.77
SCHEMBL4310881 0.74 MEN1 (0.34)
SCHEMBL6545046 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL79154 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6842578 0.73
SCHEMBL352469 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL79662 0.69 ALDH1A1 (0.33) ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787592-B1 OLEOPHILIC NANOCOMPOSITES SOUTHERN CLAY PRODUCTS, INC. 2004-09-07 US claimed
US-6037315-A QUATERNARY AMMONIUM SALT COMPRISING MIXTURE OF MONO-, DI- AND TRI-ESTER COMPONENTS; USED AS A FABRIC SOFTENER AND AS A HAIR AND SKIN CONDITIONER AKZO NOBEL NV (NL) 2000-03-14 US claimed
US-6787592-B1 OLEOPHILIC NANOCOMPOSITES SOUTHERN CLAY PRODUCTS, INC. 2004-09-07 US disclosed
US-6770608-B2 TEXTILE SOFTENING; HAIR AND SKIN CONDITIONER AKZO NOBEL N.V. (NL) 2004-08-03 US disclosed
US-20020025915-A1 High Di(alkyl fatty ester) amines and quaternary ammonium compounds derived therefrom AKZO NOBEL N.V. (NL) 2002-02-28 US disclosed
US-6323167-B1 COMPOSITIONS WHICH COMPRISE QUATERNARY AMMONIUM BASED SOFTENING AGENTS WHICH ARE HIGH IN DIESTER AND LOW IN TRIESTER CONTENT AKZO NOBEL N.V. (NL) 2001-11-27 US disclosed
WO-2001028924-A1 ORGANOCLAY COMPOSITIONS PREPARED FROM ESTER QUATS AND COMPOSITES BASED ON THE COMPOSITIONS SOUTHERN CLAY PRODUCTS, INC. (US) 2001-04-26 WO disclosed
US-6037315-A QUATERNARY AMMONIUM SALT COMPRISING MIXTURE OF MONO-, DI- AND TRI-ESTER COMPONENTS; USED AS A FABRIC SOFTENER AND AS A HAIR AND SKIN CONDITIONER AKZO NOBEL NV (NL) 2000-03-14 US disclosed