SCHEMBL11216219

SCHEMBL11216219

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13935050 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6293437 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13935086 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11069008 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10589401 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14585732 0.71 CA1 (0.34) ALDH1A1
SCHEMBL604452 0.71
SCHEMBL11695300 0.69
SCHEMBL11594851 0.69
Nitric Acid SCHEMBL6248915 0.69 CA5A (0.42) ALDH1A1

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-4341712-A PROPELLANTS; EXPLOSIVES; PLASTICIZING ROCKWELL INTERNATIONAL CORPORATION (US) 1982-07-27 US disclosed
US-4141768-A POLYETHER ROCKWELL INTERNATIONAL CORPORATION (US) 1979-02-27 US disclosed