SCHEMBL2509780

SCHEMBL2509780

CC(CO)N(C)C(C)CO

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 8/20 0.32
CHRNA4 P43681 8/20 0.32
CHRNB4 P30926 7/20 0.32
CHRNA3 P32297 5/20 0.31
MAPT P10636 1/20 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
SCHEMBL12847437 0.87
SCHEMBL12371255 0.87
SCHEMBL3810461 0.86
SCHEMBL9762 0.86
SCHEMBL3807883 0.86
Hydrochloric Acid SCHEMBL11312698 0.83
Hydrochloric Acid SCHEMBL11300796 0.83
Hydrochloric Acid SCHEMBL11299132 0.83
SCHEMBL838105 0.74 TSHR (0.47) TSHRTDP1
SCHEMBL27000128 0.73

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-107075414-B Fabric softener active compositions 赢创德固赛有限公司 2020-01-10 CN disclosed
EP-3204475-B1 FABRIC SOFTENER ACTIVE COMPOSITION EVONIK DEGUSSA GMBH (DE) 2018-12-12 EP disclosed
US-10113137-B2 Fabric softener active composition EVONIK DEGUSSA GMBH (DE) 2018-10-30 US disclosed
US-20170298294-A1 FABRIC SOFTENER ACTIVE COMPOSITION EVONIK DEGUSSA GMBH (DE) 2017-10-19 US disclosed
EP-3204475-A1 FABRIC SOFTENER ACTIVE COMPOSITION Evonik Degussa GmbH (DE) 2017-08-16 EP disclosed
WO-2016055341-A1 FABRIC SOFTENER ACTIVE COMPOSITION EVONIK DEGUSSA GMBH (DE) 2016-04-14 WO disclosed
EP-2553066-B1 FABRIC SOFTENER ACTIVE COMPOSITION EVONIK DEGUSSA GMBH (DE) 2014-04-30 EP disclosed
US-8569224-B2 Fabric softener active composition EVONIK DEGUSSA GMBH (DE) 2013-10-29 US disclosed
EP-2553066-A1 FABRIC SOFTENER ACTIVE COMPOSITION Evonik Degussa GmbH (DE) 2013-02-06 EP disclosed
WO-2011120822-A1 FABRIC SOFTENER ACTIVE COMPOSITION EVONIK DEGUSSA GMBH (DE) 2011-10-06 WO disclosed
US-20110245138-A1 Fabric Softener Active Composition EVONIK DEGUSSA GMBH (DE) 2011-10-06 US disclosed
EP-0293955-B1 QUATERNARY ISOPROPYL ESTER AMMONIUM COMPOUNDS AS FIBER AND FABRIC TREATMENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-01-13 EP disclosed
EP-0190333-A4 AN ACTIVE HYDROGEN-CONTAINING COMPOSITION CONTAINING A DIALKANOL TERTIARY AMINE AND A PROCESS FOR PREPARING A POLYURETHANE FOAM. DOW CHEMICAL CO (US) 1987-01-10 EP disclosed
US-4632943-A RIGID, SHRINK RESISTANT, RIM DOW CHEMICAL COMPANY (US) 1986-12-30 US disclosed
EP-0190333-A1 AN ACTIVE HYDROGEN-CONTAINING COMPOSITION CONTAINING A DIALKANOL TERTIARY AMINE AND A PROCESS FOR PREPARING A POLYURETHANE FOAM THE DOW CHEMICAL COMPANY (US) 1986-08-13 EP disclosed
WO-1986001522-A1 AN ACTIVE HYDROGEN-CONTAINING COMPOSITION CONTAINING A DIALKANOL TERTIARY AMINE AND A PROCESS FOR PREPARING A POLYURETHANE FOAM THE DOW CHEMICAL COMPANY (US) 1986-03-13 WO disclosed