SCHEMBL5594547

SCHEMBL5594547

O=[N+]([O-])C(Cc1ccccc1)OC(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.47
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.41
EPHX1 P07099 1/20 0.40
SRR Q9GZT4 1/20 0.39

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
SCHEMBL490895 0.85 CPA1 (0.45) CPA1ALDH1A1
SCHEMBL7054868 0.82 CPA1 (0.42) CPA1ALDH1A1CYP1A2EPHX1SRR
SCHEMBL7054871 0.82 CPA1 (0.42) CPA1ALDH1A1CYP1A2EPHX1
SCHEMBL5659601 0.80 CPA1 (0.41) CPA1ALDH1A1
SCHEMBL28465583 0.79 CPA1 (0.47) CPA1CYP1A2SRR
SCHEMBL5682403 0.79 CPA1 (0.47) CPA1ALDH1A1CYP1A2SRR
SCHEMBL187342 0.77 CPA1 (0.52) CPA1ALDH1A1CYP1A2EPHX1
SCHEMBL620125 0.77 TRPA1 (0.41)
SCHEMBL1588403 0.77 EPHX1 (0.40) CPA1ALDH1A1CYP1A2EPHX1SRR
SCHEMBL28530068 0.76 F2 (0.46) CPA1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007113575-A2 REAGENTS AND METHODS FOR CROSS-LINKING BIOLOGICAL MOLECULES THE UNIVERSITY OF BATH (GB) 2007-10-11 WO claimed
CN-108496233-B Capacitor with a capacitor element 日本贵弥功株式会社 2020-09-04 CN disclosed
CN-110770862-A Electrode foil for capacitor and capacitor 日本贵弥功株式会社 2020-02-07 CN disclosed
WO-2007113575-A2 REAGENTS AND METHODS FOR CROSS-LINKING BIOLOGICAL MOLECULES THE UNIVERSITY OF BATH (GB) 2007-10-11 WO disclosed