SCHEMBL3784331

SCHEMBL3784331

N=C(N)CCCCCCCC(O)(O)C(=N)N

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48

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 0.91 SPHK2 (0.41) SPHK2SPHK1
SCHEMBL8912936 0.77 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL17747405 0.77 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL11154443 0.77 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL31541184 0.77 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL23668354 0.77 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL31541186 0.77 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL7851689 0.74 SPHK2 (0.67) SPHK2SPHK1
SCHEMBL3976952 0.73 SPHK2 (0.38) SPHK2SPHK1
SCHEMBL988370 0.72 SPHK2 (0.48) 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 5 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
EP-2207872-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC Technology, INC. (US) 2010-07-21 EP disclosed
WO-2009058287-A1 PROCESS OF PURIFICATION OF AMIDOXIME CONTAINING CLEANING SOLUTIONS AND THEIR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058277-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed