SCHEMBL3285840

SCHEMBL3285840

O=[N+]([O-])C1([N+](=O)[O-])CCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL3289507 0.97 NLRP3 (0.32) NLRP3
SCHEMBL14911002 0.86
SCHEMBL272478 0.72 NLRP3 (0.36) NLRP3
SCHEMBL9921580 0.71 NEK2 (0.38)
SCHEMBL9452647 0.71
SCHEMBL9947427 0.69 MAPT (0.33) NLRP3
SCHEMBL17412820 0.69 KCNA4 (0.34)
SCHEMBL7046692 0.69
SCHEMBL7765575 0.69 KCNA4 (0.34)
SCHEMBL19210079 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713401-B2 Methods for performing electrochemical nitration reactions BATTELLE ENERGY ALLIANCE, LLC (US) 2010-05-11 US disclosed
US-20090038953-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS ENERGY, UNITED STATES DEPARTMENT OF 2009-02-12 US disclosed
WO-2009020798-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS BATTELLE ENERGY ALLIANCE, LLC (US) 2009-02-12 WO disclosed