SCHEMBL11114776

SCHEMBL11114776

O=[N+]([O-])C(F)(CO[C](OCC(F)(F)F)OCC(F)(F)F)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL11010164 1.00 HTT (0.40) HTTALDH1A1
SCHEMBL9561357 0.80 HTT (0.32) HTTALDH1A1
SCHEMBL8605180 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11656740 0.78 HTT (0.31) HTTALDH1A1
SCHEMBL11155286 0.77
SCHEMBL9548597 0.77 LMNA (0.38) HTT
SCHEMBL10633499 0.77 ALDH1A1 (0.36) HTTALDH1A1
SCHEMBL9548580 0.77 HTT (0.30) HTT
SCHEMBL11153792 0.77 HTT (0.30) HTT
SCHEMBL11765031 0.75

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
US-4449000-A 1:1:2 And 1:3 mixed polynitroethyl orthocarbonates via mixed trialkoxymethyl trichloromethyl disulfides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-05-15 US claimed
US-4449000-A 1:1:2 And 1:3 mixed polynitroethyl orthocarbonates via mixed trialkoxymethyl trichloromethyl disulfides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-05-15 US disclosed