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Sugi Predict / Compounds / SCHEMBL6671308

SCHEMBL6671308

SCHEMBL6671308

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 3/20 0.41
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ EPHX2 P34913 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
SCHEMBL6668405 0.86 FDPS (0.41) FDPSMEN1KMT2A
Potassium Ion SCHEMBL6670304 0.74 FDPS (0.32) FDPS
SCHEMBL898693 0.70 FDPS (0.75) FDPS
SCHEMBL3080928 0.70 FDPS (0.75) FDPS
SCHEMBL203348 0.70 FDPS (0.75) FDPS
SCHEMBL2154913 0.66 HTT (0.37) —
SCHEMBL1978140 0.66 FBP1 (0.38) FDPS
SCHEMBL6670360 0.66 FDPS (0.45) FDPS
SCHEMBL5075884 0.66 FDPS (0.45) FDPS
SCHEMBL10344021 0.65 HTT (0.38) FDPS

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
EP-0882055-B1 POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-22 — — 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