SCHEMBL11069008

SCHEMBL11069008

C=COCC(F)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL10823178 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11063833 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11216219 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11062122 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11069004 0.71
SCHEMBL6293437 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10627304 0.70 ALDH1A1 (0.33) ALDH1A1
Fluoride SCHEMBL11191802 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11063375 0.68
Fluroxene SCHEMBL60167 0.68

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-4426540-A Synthesis of vinyl ethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1984-01-17 US claimed
US-3962349-A 2,2,2-Fluorodinitroethyl 2-nitroalkyl acetals and methods of preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-06-08 US disclosed