SCHEMBL345565

SCHEMBL345565

CC(C)(C(=O)O)N(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 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
SCHEMBL6414284 0.75 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL410306 0.73 TSHR (0.39) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL8161352 0.73 TSHR (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL12837724 0.73 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL22692560 0.71 TSHR (0.44) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL4041835 0.71 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL453425 0.71
SCHEMBL27969370 0.71 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL27969305 0.71 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL22044608 0.69 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128236-B1 Light duty detergent CHEMISCHE FABRIK KREUSSLER & CO GMBH (DE) 2018-04-11 EP claimed
EP-2128236-B1 Light duty detergent CHEMISCHE FABRIK KREUSSLER & CO GMBH (DE) 2018-04-11 EP disclosed
EP-2414496-A1 FLUID BLEACHING AGENT COMPOSITION Henkel AG & Co. KGaA (DE) 2012-02-08 EP disclosed
US-20120015859-A1 FLUID BLEACHING AGENT COMPOSITION HENKEL AG & CO., KGAA (DE) 2012-01-19 US disclosed
WO-2010112312-A1 FLUID BLEACHING AGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed
EP-2128236-A1 Light duty detergent CHEMISCHE FABRIK KREUSSLER & CO. GMBH (DE) 2009-12-02 EP disclosed
US-6312873-B1 Plate surface protective agent for lithographic printing plate, and fountain solution composition for lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2001-11-06 US disclosed
US-6294318-B1 GLYCOL ETHER AND ALCOHOL ETHER OF ETHYLENE OXIDE-PROPYLENE OXIDE ADDUCT FUJI PHOTO FILM CO., LTD. (JP) 2001-09-25 US disclosed
EP-0985546-A1 Surface protective agent, and fountain solution composition for lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2000-03-15 EP disclosed