SCHEMBL3730701

SCHEMBL3730701

CC(OC(C)O[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.46

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
SCHEMBL18212306 0.88 GSR (0.31) ALDH1A1
SCHEMBL14777705 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14778235 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2435266 0.80
SCHEMBL14777706 0.79
SCHEMBL10630703 0.79
SCHEMBL16864808 0.76 CA5A (0.33)
SCHEMBL145757 0.75
SCHEMBL7573943 0.75 GSR (0.35) ALDH1A1
SCHEMBL2967255 0.74

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
WO-2014176143-A1 TOUGHENING AND FLEXIBILIZING THERMOPLASTIC AND THERMOSET POLYMERS MEHTA VEERAG (US) 2014-10-30 WO disclosed
US-20100030052-A1 ANALYTE SENSORS COMPRISING PLASTICIZERS ABBOTT DIABETES CARE INC. 2010-02-04 US disclosed