SCHEMBL3976952

SCHEMBL3976952

N=C(N)CCCC(O)(O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL3976958 0.81 SPHK2 (0.41) SPHK2SPHK1
SCHEMBL15103232 0.74 SOAT1 (0.38)
SCHEMBL30118466 0.74 SOAT1 (0.38)
SCHEMBL3784331 0.73 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL9282122 0.71 FDPS (0.41)
SCHEMBL7880146 0.70 FDPS (0.45)
SCHEMBL3058582 0.69
SCHEMBL5889691 0.69 SPHK2 (0.55) SPHK2SPHK1
SCHEMBL12341240 0.69 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL19073498 0.69 SPHK2 (0.42) SPHK2SPHK1

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-2207872-B1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY INC (US) 2013-07-03 EP claimed
EP-2207872-B1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY INC (US) 2013-07-03 EP disclosed
WO-2009058272-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058275-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed