SCHEMBL3008741

SCHEMBL3008741

CC(O)[N+](C)(C)C(C)O.O=[N+]([O-])[O-]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL8201538 0.85 MEN1 (0.35) MEN1KMT2ACA5ACA5B
SCHEMBL5046885 0.82 MEN1 (0.33) MEN1KMT2ACA5ACA5B
SCHEMBL232452 0.80
Fluoride Ion SCHEMBL11797949 0.77 ALDH1A1 (0.39)
SCHEMBL28933911 0.77 ALDH1A1 (0.39)
Water SCHEMBL2778703 0.77 ALDH1A1 (0.39)
Hydrochloric Acid SCHEMBL156327 0.77 ALDH1A1 (0.39)
Iodide SCHEMBL3012607 0.77 ALDH1A1 (0.39)
Sulfuric Acid SCHEMBL2103289 0.77 TP53 (0.35) MEN1KMT2A
Oxalic Acid SCHEMBL3007254 0.77 CA4 (0.39)

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
US-8362095-B2 Defoaming of ionic liquids EVONIK GOLDSCHMIDT GMBH (DE) 2013-01-29 US disclosed
US-20100192814-A1 PROCESS FOR PRODUCING ANTISTATICALLY TREATED ARTIFICIAL STONE FOR FLAT STRUCTURES EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-05 US disclosed
US-20100084597-A1 DEFOAMING OF IONIC LIQUIDS EVONIK DEGUSSA GMBH (DE) 2010-04-08 US disclosed
US-20100029519-A1 PERFORMANCE ADDITIVES FOR IMPROVING THE WETTING PROPERTIES OF IONIC LIQUIDS ON SOLID SURFACES EVONIK DEGUSSA GMBH (DE) 2010-02-04 US disclosed