SCHEMBL321418

SCHEMBL321418

Nc1ccc(CC(O)(OP(O)O)O[PH](=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
GFER P55789 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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 0.87 FDPS (0.46) FDPSGFERALDH1A1CYP3A4TSHR
SCHEMBL327183 0.78 POLB (0.44) ALDH1A1TSHR
SCHEMBL13022706 0.75 FDPS (0.31) FDPS
SCHEMBL15911968 0.74 FDPS (0.43) FDPSGFERALDH1A1CYP3A4TSHR
SCHEMBL12187695 0.71
SCHEMBL14217571 0.70
SCHEMBL469790 0.68
SCHEMBL8259996 0.68 FDPS (0.32) FDPS
SCHEMBL4076437 0.65 APP (0.46) FDPSGFERALDH1A1CYP3A4TSHR
SCHEMBL1123408 0.64 NPC1 (0.43) ALDH1A1CYP3A4TSHRTDP1

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-8133311-B2 Liquid vehicle, pigment, and non-polymeric dispersant containing diphosphate groups; ink jet inks CABOT CORPORATION (US) 2012-03-13 US disclosed
US-20080264298-A1 Pigment dipsersions comprising functionalized non-polymeric dispersants CABOT CORPORATION 2008-10-30 US disclosed