SCHEMBL9951290

SCHEMBL9951290

CCCCC(O[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMPD1 P17405 3/20 0.36
CA2 P00918 5/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
FDPS P14324 1/20 0.33
DNM1 Q05193 1/20 0.33
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 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
SCHEMBL2548853 0.85 TSHR (0.36) ALDH1A1TSHRCYP3A4
SCHEMBL6152186 0.84 CA2 (0.36) ALDH1A1SMPD1CA2CA1MAPK1
SCHEMBL3292096 0.84 ALDH1A1 (0.41) ALDH1A1CA2TSHRSMN1; SMN2CA1
SCHEMBL6152192 0.82 CA2 (0.37) ALDH1A1SMPD1CA2CA1MAPK1
SCHEMBL6014859 0.82 ALDH1A1 (0.39) ALDH1A1CA2TSHRSMN1; SMN2CA1
SCHEMBL29072245 0.80 ALDH1A1 (0.38) ALDH1A1CA2TSHRSMN1; SMN2CA1
SCHEMBL402444 0.80 ALDH1A1 (0.38) ALDH1A1CA2TSHRSMN1; SMN2CA1
SCHEMBL6150839 0.78 SMPD1 (0.41) ALDH1A1SMPD1CA2CA1
SCHEMBL11689707 0.77 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL6150843 0.77 SMPD1 (0.40) SMPD1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126430-A1 NEW METHOD FOR SUSTAINABLE MANURE MANAGEMENT DSM IP ASSETS B.V. (NL) 2024-06-20 WO claimed
EP-3541200-A1 POWDEROUS FORMULATIONS DSM IP Assets B.V. (NL) 2019-09-25 EP claimed
WO-2018091643-A1 POWDEROUS FORMULATIONS DSM IP ASSETS B.V. (NL) 2018-05-24 WO claimed
EP-3041365-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2016-07-13 EP claimed
WO-2015018726-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2015-02-12 WO claimed
EP-2654455-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2013-10-30 EP claimed
WO-2012084629-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-06-28 WO claimed
EP-3806653-A1 CONTINUOUS PRODUCTION OF AN ADSORPTION PRODUCT OF A NITROOXY-FUNCTIONAL ORGANIC COMPOUND DSM IP Assets B.V. (NL) 2021-04-21 EP disclosed
WO-2020011992-A1 CONTINUOUS PRODUCTION OF AN ADSORPTION PRODUCT OF A NITROOXY-FUNCTIONAL ORGANIC COMPOUND DSM IP ASSETS B.V. (NL) 2020-01-16 WO disclosed
EP-3041365-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2016-07-13 EP disclosed
WO-2015018726-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2015-02-12 WO disclosed
EP-2654455-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2013-10-30 EP disclosed
WO-2012084629-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-06-28 WO disclosed