SCHEMBL9561357

SCHEMBL9561357

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL9548592 0.86
SCHEMBL11656740 0.84 HTT (0.31) HTTALDH1A1
SCHEMBL9548597 0.83 LMNA (0.38) HTTLMNA
SCHEMBL11153792 0.83 HTT (0.30) HTT
SCHEMBL10633499 0.83 ALDH1A1 (0.36) HTTALDH1A1LMNA
SCHEMBL9548580 0.83 HTT (0.30) HTT
SCHEMBL11691605 0.81 HTT (0.38) HTT
SCHEMBL11765031 0.81
SCHEMBL8605180 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11114776 0.80 HTT (0.40) HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196599-A Fluorination of the dichloroformals, explosives and propellant THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-03-23 US disclosed
US-5025102-A Bis(2-fluoro-2,2-dinitroethyl)carbonate pentafluorosulfanylimine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-06-18 US disclosed
US-4705899-A 1:3 \"mixed\" polynitroethyl orthocarbonates from tris(2-fluoro-2,2-dinitroethoxy)methyl trichloromethyl disulfide THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1987-11-10 US disclosed
US-4145361-A REACTING 2-FLUORO-2,2-DINITRO-ETHYL CHLOROFORMATE WITH AN ALKALI METAL PHENATE SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1979-03-20 US disclosed
US-4097513-A REACTING PHOSGENE AND 2-FLUORO-2,2-DINITROETHYLAMINE SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1978-06-27 US disclosed
US-3922311-A Fluorodinitroethyl difluoroformal and process of manufacture US ENERGY 1975-11-25 US disclosed