SCHEMBL28996103

SCHEMBL28996103

O=[N+]([O-])[C]([N+](=O)[O-])[N+](=O)[O-].[LiH]

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.31

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
SCHEMBL3138751 0.95 CA5A (0.50) CA5ACA5BALDH1A1TDP1MEN1
SCHEMBL31339221 0.75
SCHEMBL10906198 0.75
Nitric Acid SCHEMBL11422739 0.70 CA5A (0.89) CA5ACA5BALDH1A1TDP1MEN1
Nitric Acid SCHEMBL29629186 0.70
Nitric Acid SCHEMBL28238639 0.70
Nitric Acid SCHEMBL22865 0.70
Nitric Acid SCHEMBL4332633 0.67
Nitric Acid SCHEMBL5448842 0.67 CA5A (0.80) CA5ACA5BALDH1A1TDP1MEN1
Nitric Acid SCHEMBL8502591 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082640-B Polymer for electrolyte and preparation method and application thereof 中国科学院物理研究所 2024-12-10 CN disclosed
CN-116082640-A Polymer for electrolyte and preparation method and application thereof 中国科学院物理研究所 2023-05-09 CN disclosed