SCHEMBL6687189

SCHEMBL6687189

O=P(O)(O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.52
ADH1A P07327 7/20 0.37
MMP2 P08253 6/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
MMP8 P22894 3/20 0.37
MMP1 P03956 3/20 0.37
MMP3 P08254 2/20 0.37
ADH1C P00326 5/20 0.36
PHGDH O43175 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ADH4 P08319 1/20 0.33
MMP9 P14780 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 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
SCHEMBL10707013 0.80 FDPS (0.48) FDPSADH1AMMP2CA12CA1
SCHEMBL3068146 0.79 FDPS (0.52) FDPSADH1AMMP2CA12CA1
SCHEMBL31607217 0.78 FDPS (0.44) FDPSADH1AMMP2CA12CA1
Phosphoric Acid SCHEMBL28334275 0.76 FDPS (0.54) FDPSADH1AMMP2CA12CA1
SCHEMBL3075520 0.75 FDPS (0.44) FDPSADH1AMMP2CA12CA1
SCHEMBL6660473 0.74 FDPS (0.41) FDPSADH1AADH1CPHGDHFAAH
Phosphoric Acid SCHEMBL727986 0.72 FDPS (0.50) FDPSADH1AMMP2CA12CA1
Phosphoric Acid SCHEMBL29166159 0.72 FDPS (0.50) FDPSADH1AMMP2CA12CA1
Phosphoric Acid SCHEMBL30818556 0.72 FDPS (0.50) FDPSADH1AMMP2CA12CA1
Phosphoric Acid SCHEMBL29166215 0.72 FDPS (0.50) FDPSADH1AMMP2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009372-A1 PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS HUNTSMAN PETROCHEMICAL LLC (US) 2013-01-17 WO disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed