SCHEMBL2346017

SCHEMBL2346017

O=C(O)NCC(CNC(=O)O)(CNC(=O)O)CNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33

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
SCHEMBL30105977 0.85 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL10665397 0.83 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL9065626 0.78
SCHEMBL160104 0.75
SCHEMBL967611 0.75
SCHEMBL28383155 0.75
SCHEMBL1934610 0.75
SCHEMBL5273019 0.73
Hydrochloric Acid SCHEMBL11159957 0.73 CYP2D6 (0.40) CYP2D6CYP2C19
SCHEMBL27915791 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008527-B1 Octafluoropentaerythrityltetramine (octafluoro-peta) and process for its preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-08-30 US claimed
US-8008527-B1 Octafluoropentaerythrityltetramine (octafluoro-peta) and process for its preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-08-30 US disclosed
US-8008527-B1 Octafluoropentaerythrityltetramine (octafluoro-peta) and process for its preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-08-30 US disclosed