SCHEMBL6668405

SCHEMBL6668405

O=P(O)(O)C(N1CCN(C(P(=O)(O)O)P(=O)(O)OCC(F)(F)F)CCN(C(P(=O)(O)O)P(=O)(O)OCC(F)(F)F)CCN(C(P(=O)(O)O)P(=O)(O)OCC(F)(F)F)CC1)P(=O)(O)OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.41
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Potassium Ion SCHEMBL6670304 0.86 FDPS (0.32) FDPS
SCHEMBL6671308 0.86 FDPS (0.41) FDPSMEN1KMT2A
SCHEMBL5075884 0.77 FDPS (0.45) FDPSTSHRTDP1
SCHEMBL6670360 0.77 FDPS (0.45) FDPSTSHRTDP1
SCHEMBL6667933 0.74 FDPS (0.42) FDPSMEN1KMT2A
SCHEMBL17032648 0.70 HTT (0.35) FDPSTSHR
SCHEMBL898693 0.70 FDPS (0.75) FDPSKDM4E
SCHEMBL3080928 0.70 FDPS (0.75) FDPSKDM4E
SCHEMBL203348 0.70 FDPS (0.75) FDPSKDM4E
SCHEMBL9302275 0.68 FDPS (0.37) FDPSTSHR

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
EP-0882055-B1 POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-22 EP claimed
EP-0882055-A1 POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS THE DOW CHEMICAL COMPANY (US) 1998-12-09 EP claimed
US-5834456-A MAGNETIC RESONANCE IMAGING AND IN VIVO SPECTROSCOPY OF FLUORINE; SENSITIVITY, TISSUE DISTRIBUTION THE DOW CHEMICAL COMPANY (US) 1998-11-10 US claimed
WO-1997031005-A1 POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS THE DOW CHEMICAL COMPANY (US) 1997-08-28 WO claimed
EP-0882055-B1 POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-22 EP disclosed
EP-0882055-A1 POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS THE DOW CHEMICAL COMPANY (US) 1998-12-09 EP disclosed
US-5834456-A MAGNETIC RESONANCE IMAGING AND IN VIVO SPECTROSCOPY OF FLUORINE; SENSITIVITY, TISSUE DISTRIBUTION THE DOW CHEMICAL COMPANY (US) 1998-11-10 US disclosed
WO-1997031005-A1 POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS THE DOW CHEMICAL COMPANY (US) 1997-08-28 WO disclosed