SCHEMBL4657446

SCHEMBL4657446

CN(C)CCOP(=O)(O)OP(=O)(O)O.O=[Zr](O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MVD P53602 4/20 0.57
BTN3A1 O00481 3/20 0.47
GGPS1 O95749 4/20 0.46
FNTA P49354 2/20 0.33
FNTB P49356 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL4326443 0.93 MVD (0.64) MVDBTN3A1GGPS1FNTAFNTB
SCHEMBL11952584 0.79 MVD (0.49) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL1642999 0.76 LPAR3 (0.46) MVDGGPS1CHRM2CHRM4CHRM5
SCHEMBL8232301 0.75 MVD (0.43) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL7531145 0.73 BTN3A1 (0.61) MVDBTN3A1GGPS1FNTAFNTB
SCHEMBL2628074 0.73 MVD (0.42) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL2471602 0.73 MVD (0.42) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL14750297 0.73 MVD (0.42) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL27703224 0.72 MVD (0.41) MVDBTN3A1GGPS1CHRM2CHRM4
Pyrophosphoric Acid SCHEMBL15103043 0.71 TDP1 (0.56) MVDBTN3A1GGPS1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2002058-A1 LATHER-FORMING TISSUE PAPER PRODUCT SCA Hygiene Products GmbH (DE) 2008-12-17 EP disclosed
WO-2007112916-A1 LATHER-FORMING TISSUE PAPER PRODUCT SCA HYGIENE PRODUCTS GMBH (DE) 2007-10-11 WO disclosed