SCHEMBL508234

SCHEMBL508234

NN=C(N)NOC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.33
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 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
SCHEMBL507322 0.87 NOS1 (0.33) NOS1F2PRSS1PRSS2PRSS3
SCHEMBL508300 0.83 NOS1 (0.31) NOS1
SCHEMBL3906654 0.77 CA2 (0.32)
SCHEMBL508488 0.75 CA2 (0.31)
SCHEMBL40803 0.74 NOS1 (0.41) NOS1
SCHEMBL507711 0.74 NOS1 (0.41) NOS1F2PRSS1PRSS2PRSS3
SCHEMBL6507208 0.73 TAS2R38 (0.32)
SCHEMBL27635061 0.73 F2 (0.33) F2PRSS1PRSS2PRSS3
SCHEMBL5568618 0.72 POLB (0.33)
SCHEMBL27557003 0.72 DGAT1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8425702-B2 Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition ALLIANT TECHSYSTEMS INC. (US) 2013-04-23 US claimed
US-20120024437-A1 PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2012-02-02 US claimed
US-8012277-B2 Mixture with activator; desentization melt ALLIANT TECHSYSTEMS INC. (US) 2011-09-06 US claimed
US-20080251169-A1 IONIC LIQUID, A METHOD OF SYNTHESIZING AN IONIC LIQUID, A PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID, AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2008-10-16 US claimed
US-8425702-B2 Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition ALLIANT TECHSYSTEMS INC. (US) 2013-04-23 US disclosed
US-20120024437-A1 PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2012-02-02 US disclosed
US-8012277-B2 Mixture with activator; desentization melt ALLIANT TECHSYSTEMS INC. (US) 2011-09-06 US disclosed
US-20080251169-A1 IONIC LIQUID, A METHOD OF SYNTHESIZING AN IONIC LIQUID, A PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID, AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2008-10-16 US disclosed
US-6211304-B1 POLYETHER 3M INNOVATIVE PROPERTIES COMPANY 2001-04-03 US disclosed
EP-0776272-A1 MORDANTS FOR INK-JET RECEPTORS SHEETS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-04 EP disclosed
WO-1996026074-A1 MORDANTS FOR INK-JET RECEPTORS SHEETS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-08-29 WO disclosed