SCHEMBL8528155

SCHEMBL8528155

CCC(OS(C)(=O)=O)C(C(CC)OS(C)(=O)=O)(C(CC)OS(C)(=O)=O)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP24A1 Q07973 1/20 0.31
CYP19A1 P11511 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
SCHEMBL8848521 0.74 CYP24A1 (0.41) ALDH1A1CYP24A1
SCHEMBL14778568 0.73 CYP24A1 (0.41) ALDH1A1CYP24A1
SCHEMBL17815982 0.71 ALDH1A1 (0.39) ALDH1A1CYP24A1
SCHEMBL8528722 0.65
SCHEMBL8848432 0.63
SCHEMBL14778666 0.62 ALDH1A1 (0.48) ALDH1A1
SCHEMBL6229260 0.62 ALDH1A1 (0.48) ALDH1A1
SCHEMBL4361778 0.61 ALDH1A1 (0.37) ALDH1A1
SCHEMBL2637044 0.61 TSHR (0.42) ALDH1A1
SCHEMBL14779815 0.61 CYP24A1 (0.45) ALDH1A1CYP24A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577785-B1 FLUORINATED COMPOUNDS AS OXYGEN TRANSPORT AGENTS ISIS INNOVATION (GB) 1998-12-30 EP disclosed
US-5621144-A Fluorinated compounds as oxygen transport agents ISIS INNOVATION LIMITED (GB) 1997-04-15 US disclosed
EP-0577785-A1 FLUORINATED COMPOUNDS AS OXYGEN TRANSPORT AGENTS ISIS INNOVATION LIMITED (GB) 1994-01-12 EP disclosed
WO-1993011098-A1 FLUORINATED COMPOUNDS AS OXYGEN TRANSPORT AGENTS ISIS INNOVATION LIMITED (GB) 1993-06-10 WO disclosed