SCHEMBL3162009

SCHEMBL3162009

C=CC(C)CCCC(C)(C)OC(=O)CC(=O)CCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
HAO1 Q9UJM8 1/20 0.37
FAAH O00519 6/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
POLA1 P09884 1/20 0.34
CTSK P43235 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
DGKA P23743 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
SCHEMBL8580050 0.94 TSHR (0.34) TSHRLMNAHAO1FAAHCNR1
Lithium Ion SCHEMBL8502167 0.93 TSHR (0.33) TSHRLMNAHAO1FAAHCNR1
SCHEMBL7705563 0.90 TSHR (0.38) TSHRLMNAFAAHCNR1CNR2
SCHEMBL7706121 0.81 GPR84 (0.43) TSHRLMNAFAAHMAPT
SCHEMBL8668332 0.81 MEN1 (0.31) TSHRKMT2AMEN1
SCHEMBL3161360 0.80 MGAM (0.33) LMNACA1CA2
SCHEMBL5186531 0.75 LMNA (0.41) LMNAHAO1FAAHCNR1CNR2
SCHEMBL31718063 0.74 CA2 (0.55) TSHRMAPK1CA1CA2CTSK
SCHEMBL158257 0.73 GAA (0.37) LMNAKMT2AMEN1CA1CA2
SCHEMBL10799382 0.73 HAO1 (0.52) TSHRLMNAHAO1FAAHMAPT

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 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955994-B1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES PROCTER & GAMBLE (US) 2010-11-03 EP claimed
JP-3647883-B2 2005-05-18 JP claimed
EP-0927238-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES PROCTER & GAMBLE (US) 2003-05-21 EP claimed
EP-0922084-B1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES PROCTER & GAMBLE (US) 2002-11-13 EP claimed
JP-3302374-B2 2002-07-15 JP claimed
EP-1115834-A1 DRYER-ADDED FABRIC SOFTENER COMPOSITIONS COMPRISING A TERNARY FRAGRANCE DELIVERY SYSTEM The Procter & Gamble Company (US) 2001-07-18 EP claimed
EP-1092008-A1 LAUNDRY COMPOSITIONS COMPRISING ETHOXYLATED POLYALKYLENEIMINES WHICH ENHANCE THE BETA-KETO ESTER FRAGRANCE DELIVERY SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2001-04-18 EP claimed
US-6184188-B1 LAUNDRY DETERGENT COMPRISING SPECIFIED BETA-KETO ESTER ?PRO-FRAGRANCES? SUCH AS 3,7-DIMETHYL-1,6-OCTADIEN-3-YL 1-(2-NAPHTHYL)-3-OXO-PROPIONATE, AND A DETERSIVE SURFACTANT, AND CARRIERS THE PROCTER & GAMBLE COMPANY 2001-02-06 US claimed
US-6165953-A Dryer added fabric softening compositions and method of use for the delivery of fragrance derivatives THE PROCTER & GAMBLE COMPANY (US) 2000-12-26 US claimed
JP-2000516662-A 2000-12-12 JP claimed
EP-0922083-A2 AUTOMATIC DISHWASHING DETERGENTS COMPRISING $g(b)-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1999-06-16 EP claimed
EP-0922084-A2 LAUNDRY DETERGENT COMPOSITIONS COMPRISING $g(b)-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1999-06-16 EP claimed
WO-1998007405-A1 FRAGRANCE DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
WO-1998007811-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
WO-1998007809-A2 HARD SURFACE CLEANERS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
WO-1998007814-A2 FRAGRANCE DELIVERY SYSTEM FOR LIQUID DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
WO-1998007812-A2 AUTOMATIC DISHWASHING DETERGENTS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
WO-1998007813-A2 LAUNDRY DETERGENT COMPOSITIONS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
WO-1998007810-A2 HAND-WASH LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
WO-1998007407-A1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed