SCHEMBL11515440

SCHEMBL11515440

C=CCC([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.43
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 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
SCHEMBL27397277 0.74
SCHEMBL28195500 0.70
SCHEMBL11527435 0.69 CA1 (0.42)
SCHEMBL7323835 0.67 CPA1 (0.40) CPA1ALDH1A1
SCHEMBL2489867 0.67 MEN1 (0.38) CPA1
SCHEMBL10592146 0.67 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10592141 0.67 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4754546 0.65
SCHEMBL16500025 0.65 ALDH1A1 (0.35) ALDH1A1HPGDHIF1A
SCHEMBL28447514 0.63 ALDH1A1 (0.33) ALDH1A1HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139403-A Dinitroalkyl and fluorodinitroalkyl silicon compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1979-02-13 US disclosed