SCHEMBL23201536

SCHEMBL23201536

O=C=C(Br)N1CC([N+](=O)[O-])([N+](=O)[O-])C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 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
Nibrozetone SCHEMBL2249018 0.72 NLRP3 (0.47) NLRP3
SCHEMBL14841644 0.68 NLRP3 (0.34) NLRP3
SCHEMBL1997904 0.65 ESR1 (0.33) NLRP3
SCHEMBL6365346 0.64 ALDH1A1 (0.52) NLRP3
SCHEMBL9347128 0.64 L3MBTL1 (0.39) NLRP3
SCHEMBL1991051 0.64 NLRP3 (0.35) NLRP3
SCHEMBL31065659 0.64 CASP3 (0.37) NLRP3
SCHEMBL22015927 0.62 NLRP3 (0.33) NLRP3
SCHEMBL7248680 0.61 GAA (0.33) NLRP3
SCHEMBL436830 0.61 GAA (0.33) NLRP3

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
WO-2021119433-A1 MEDICATION INFUSION DEVICES, SYSTEMS, AND METHODS EPICENTRX, INC. (US) 2021-06-17 WO claimed
EP-3801678-A1 MEDICATION INFUSION DEVICES, SYSTEMS, AND METHODS EpicentRx, Inc. (US) 2021-04-14 EP claimed
WO-2021119433-A1 MEDICATION INFUSION DEVICES, SYSTEMS, AND METHODS EPICENTRX, INC. (US) 2021-06-17 WO disclosed