SCHEMBL13022706

SCHEMBL13022706

NNc1ccc(CC(O)(O[PH](=O)O)O[PH](=O)O)cc1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PTPRB P23467 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
SCHEMBL13022703 0.83 FDPS (0.46) FDPS
SCHEMBL321418 0.75 FDPS (0.39) FDPS
SCHEMBL327183 0.69 POLB (0.44) CA1CA2CA4CA7
SCHEMBL12980777 0.68 FDPS (0.68) FDPS
SCHEMBL15911968 0.67 FDPS (0.43) FDPS
SCHEMBL10073143 0.67 FDPS (0.53) FDPS
SCHEMBL17362397 0.66 CA1 (0.38) CA12CA1CA2CA4CA6
SCHEMBL3363869 0.63 FDPS (0.44) FDPS
SCHEMBL10073146 0.63 LMNA (0.34) FDPS
SCHEMBL5272353 0.63 CA12 (0.41) CA12CA1CA2CA4CA6

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
US-8580024-B2 Inkjet ink compositions comprising modified pigments CABOT CORPORATION (US) 2013-11-12 US disclosed
US-20100307377-A1 Inkjet ink compositions comprising modified pigments CABOT CORPORATION 2010-12-09 US disclosed