SCHEMBL8200971

SCHEMBL8200971

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
TSHR P16473 1/20 0.30
CPA1 P15085 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL8201539 0.84 MEN1 (0.35) MEN1KMT2ACA5ACA5B
SCHEMBL8192716 0.84 MEN1 (0.35) MEN1KMT2ACA5ACA5B
SCHEMBL604383 0.78
SCHEMBL2834445 0.76 MEN1 (0.40) MEN1KMT2ATSHRALDH1A1HPGD
Hydrochloric Acid SCHEMBL5152359 0.73
Fluoride Ion SCHEMBL4617213 0.73
SCHEMBL10382187 0.73
SCHEMBL8203777 0.73
Isopropyl Alcohol SCHEMBL28455407 0.72 ALDH1A1 (0.46) MEN1KMT2ACA5ACA5BTSHR
Isopropyl Alcohol SCHEMBL28676492 0.72

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-6165341-A Catalytic film, methods of making the catalytic films, and electrosynthesis of compounds using the catalytic film SACHEM, INC. (US) 2000-12-26 US disclosed
EP-1021595-A2 ELECTROSYNTHESIS OF HYDROXYLAMMONIUM SALTS AND HYDROXYLAMINE USING A MEDIATOR, A CATALYTIC FILM, METHODS OF MAKING THE CATALYTIC FILM, AND ELECTROSYNTHESIS OF COMPOUNDS USING THE CATALYTIC FILM SACHEM, INC. (US) 2000-07-26 EP disclosed
WO-1999009234-A2 ELECTROSYNTHESIS OF HYDROXYLAMMONIUM SALTS AND HYDROXYLAMINE USING A MEDIATOR, A CATALYTIC FILM, METHODS OF MAKING THE CATALYTIC FILM, AND ELECTROSYNTHESIS OF COMPOUNDS USING THE CATALYTIC FILM SACHEM, INC. (US) 1999-02-25 WO disclosed