SCHEMBL8621930

SCHEMBL8621930

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.30

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
SCHEMBL6899646 0.87 TDP1 (0.36) TDP1TSHRMAPK1
SCHEMBL5382183 0.81 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL6178207 0.81 ACACB (0.35)
SCHEMBL1660032 0.79 TSHR (0.38) TDP1TSHRMAPK1ALDH1A1
1,3-Butanediol SCHEMBL8193782 0.79 TDP1 (0.38) TDP1TSHRMAPK1ALDH1A1
SCHEMBL746944 0.77 TSHR (0.46) TDP1TSHR
2-Pentanol SCHEMBL28787794 0.77 TSHR (0.40) TDP1TSHRMAPK1
SCHEMBL1658457 0.77 TSHR (0.36) TDP1TSHRMAPK1
SCHEMBL29172874 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14220647 0.75 TSHR (0.33) TSHR

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 38 patents — showing the first 20. 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
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP claimed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
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
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
EP-0032526-A1 Peroxy dicarbonates, polymerization method and curing process Argus Chemical Corporation (US) 1981-07-29 EP disclosed
US-4278612-A POLYMERIZATION CATALYSTS, STYRENE, CROSSLINKING ARGUS CHEMICAL CORPORATION (US) 1981-07-14 US disclosed
EP-0020846-A1 2-Chloro-2-alkyl substituted peroxyesters Argus Chemical Corporation (US) 1981-01-07 EP disclosed
US-4129613-A Thermally stable high molecular weight acyl peroxycarbonic esters in polyester curing ARGUS CHEMICAL CORPORATION (US) 1978-12-12 US disclosed
US-4061606-A ORGANIC POLYMER FOAMS ARMSTRONG CORK COMPANY (US) 1977-12-06 US disclosed