SCHEMBL3658176

SCHEMBL3658176

C=CCNC(C)NN(CC)CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1551330 0.76 TDP1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL437243 0.75 FAAH (0.33) ALDH1A1
SCHEMBL22160290 0.74 EPHX1 (0.38) ALDH1A1
SCHEMBL1551333 0.71 MAPT (0.35) ALDH1A1
SCHEMBL862003 0.70
Hydrochloric Acid SCHEMBL437245 0.69 MAPT (0.34) ALDH1A1
SCHEMBL3658182 0.68 MAPT (0.33) ALDH1A1
SCHEMBL3435871 0.68 FAAH (0.36) ALDH1A1
SCHEMBL31138 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6449358 0.67 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865049-B1 CLEANING AGENT FOR THERMOSTATIC CHAMBERS WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
US-7727949-B2 Cleaning agent for thermostatic chambers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
US-20080214420-A1 Cleaning Agent for Thermostatic Chambers FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2008-09-04 US disclosed
EP-1865049-A1 CLEANING AGENT FOR THERMOSTATIC CHAMBERS Wako Pure Chemical Industries, Ltd. (JP) 2007-12-12 EP disclosed