SCHEMBL6578396

SCHEMBL6578396

CCCCCCCCNC(CP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
S1PR2 O95136 6/20 0.50
S1PR1 P21453 6/20 0.50
S1PR3 Q99500 6/20 0.50
S1PR4 O95977 5/20 0.50
S1PR5 Q9H228 1/20 0.50
ANPEP P15144 1/20 0.49
ERAP2 Q6P179 1/20 0.49
FDPS P14324 4/20 0.46
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 1/20 0.45
LAP3 P28838 2/20 0.43
GGPS1 O95749 2/20 0.40

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
SCHEMBL1123699 1.00 FNTA (0.53) FNTAFNTBS1PR2S1PR1S1PR3
SCHEMBL3059485 1.00 FNTA (0.53) FNTAFNTBS1PR2S1PR1S1PR3
SCHEMBL3976913 1.00 FNTA (0.53) FNTAFNTBS1PR2S1PR1S1PR3
SCHEMBL7619688 1.00 FNTA (0.53) FNTAFNTBS1PR2S1PR1S1PR3
SCHEMBL3833047 1.00 FNTA (0.53) FNTAFNTBS1PR2S1PR1S1PR3
SCHEMBL7613205 1.00 FNTA (0.53) FNTAFNTBS1PR2S1PR1S1PR3
SCHEMBL7619897 0.83 FNTA (0.36) FNTAFNTBS1PR2S1PR1S1PR3
SCHEMBL3977101 0.80 S1PR2 (0.57) FNTAFNTBS1PR2S1PR1S1PR3
(Hexylamino)Methylenediphosphonic Acid SCHEMBL11773128 0.80 S1PR2 (0.57) FNTAFNTBS1PR2S1PR1S1PR3
(Octylamino)Methylenediphosphonic Acid SCHEMBL11793636 0.80 S1PR2 (0.57) FNTAFNTBS1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706670-B2 CARBOXYLIC ACIDS AND SALTS AND PHOSPHATES, BORATES, PHOSPHONATES, PHOSPHITES AND HYPOPHOSPHITES SOLUTIA, INC. 2004-03-16 US disclosed
US-20030162671-A1 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. 2003-08-28 US disclosed
US-6403826-B1 SALTS OF AMINOPHOSPHONIC ACIDS OR AMINOPHOSPHOROUS ACIDS WITH ZIRCONIUM, BISMUTH, CALCIUM OR CERTAIN AMINES CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-11 US disclosed
US-6160164-A Corrosion-inhibiting coating composition for metals CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-12 US disclosed
EP-0979266-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS Solutia Inc. (US) 2000-02-16 EP disclosed
US-5980619-A INHIBITING OR ELIMINATING METAL CORROSION CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-09 US disclosed
WO-1998008919-A9 NOVEL WATER SOLUBLE METAL WORKING FLUIDS 1998-05-28 WO disclosed
WO-1998008919-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. (US) 1998-03-05 WO disclosed