SCHEMBL7248706

SCHEMBL7248706

CC(O)C(C)(C)CCCO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
PTGS1 P23219 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL8516448 0.86
SCHEMBL6060705 0.86 ACACB (0.37) TDP1CYP4F2CYP4A11
SCHEMBL1658447 0.81 ALDH1A1 (0.36) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL16326391 0.81 ALDH1A1 (0.36) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL18125160 0.81 ALDH1A1 (0.36) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL5368748 0.80 SMN1; SMN2 (0.38) TDP1PTGS1KCNH2SMN1; SMN2LMNA
SCHEMBL1659096 0.79 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL5463680 0.78 CYP4F2 (0.38) TDP1PTGS1KCNH2SMN1; SMN2LMNA
SCHEMBL1702218 0.77 CYP4F2 (0.34) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL6322458 0.77 LMNA (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN claimed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN claimed
CN-1244212-A Improved expression vectors PROCTER & GAMBLE (US) 2000-02-09 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-6630441-B2 Neutralized water insoluble amine fabric softener active containing at least two C6-C22 hydrocarbyl groups, no more than one being less than C12 and then the other at least C16; material that increases cationic charge density THE PROCTER & GAMBLE COMPANY 2003-10-07 US disclosed
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN disclosed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN disclosed
US-6323172-B1 AQUEOUS COMPOSITION COMPRISING FABRIC SOFTENER, SELECTED PRINCIPAL SOLVENT, LOW MOLECULAR WEIGHT WATER SOLUBLE SOLVENT TO IMPROVE CLARITY, WATER SOLUBLE CALCIUM AND/OR MAGNESIUM SALT THE PROCTER & GAMBLE COMPANY 2001-11-27 US disclosed
CN-1272133-A Concentrated, stable, preferably clear, fabric softening compositions containing amine fabric softeners PROCTER & GAMBLE (US) 2000-11-01 CN disclosed
CN-1263552-A softener actives derived from acylated triethanolamine PROCTER & GAMBLE (US) 2000-08-16 CN disclosed
CN-1244212-A Improved expression vectors PROCTER & GAMBLE (US) 2000-02-09 CN disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed