SCHEMBL9803653

SCHEMBL9803653

O=[N+]([O-])OCC1(CO[N+](=O)[O-])CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14962472 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18776643 0.71 ALDH1A1 (0.35) ALDH1A1
Cyclopropane SCHEMBL7531022 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL10723413 0.69 TSHR (0.32) ALDH1A1
SCHEMBL18789649 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23927689 0.66 CYP2C19 (0.40) ALDH1A1
SCHEMBL21526099 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9766390 0.64 KCNA4 (0.34) ALDH1A1
SCHEMBL9901089 0.64 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2591925 0.64 KDM4E (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088175-A Plastic film for ID documents with improved laser engraving capability and improved chemical resistance 科思创德国股份有限公司 2019-08-02 CN disclosed
EP-0223440-B1 A PROCESS FOR THE PRODUCTION OF HIGH ENERGY MATERIAL The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1991-03-06 EP disclosed
US-4985584-A RING OPENING REACTION WITH N2O4 OR N2O5 SECRETARY OF STATE FOR DEFENCE (GB) 1991-01-15 US disclosed
US-4820859-A Process for the production of high energy material SECRETARY OF STATE FOR DEFENCE IN HER MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM (GB) 1989-04-11 US disclosed
EP-0223440-A1 A process for the production of high energy material The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1987-05-27 EP disclosed