SCHEMBL5069953

SCHEMBL5069953

CN(CCO[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35

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
SCHEMBL28773656 0.81
SCHEMBL6124296 0.77 TSHR (0.37) ALDH1A1
SCHEMBL2803006 0.77 PTGS2 (0.33) ALDH1A1MMP2MMP9
SCHEMBL16914747 0.77 ALDH1A1 (0.36) ALDH1A1MMP2MMP9
SCHEMBL2681712 0.76 ALDH1A1 (0.39) ALDH1A1MMP2MMP9
SCHEMBL5072598 0.76 ALDH1A1 (0.34) ALDH1A1MMP2MMP9
Trolnitrate SCHEMBL362506 0.75 ALDH1A1 (0.42) ALDH1A1MMP2MMP9
SCHEMBL2803002 0.75 MMP2 (0.32) ALDH1A1MMP2MMP9
SCHEMBL6124294 0.74 ALDH1A1 (0.37) ALDH1A1MMP2MMP9
SCHEMBL16914764 0.74 MVD (0.46) MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616845-B1 Pourable propellant powder NITROCHEMIE WIMMIS AG (CH) 2013-10-30 EP claimed
US-5574240-A Propellants useful in electrothermal-chemical guns HERCULES INCORPORATED (US) 1996-11-12 US claimed
US-20220274898-A1 ENERGETIC MATERIALS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2022-09-01 US disclosed
EP-3622103-A1 THERMOPLASTIC FILAMENT FOR USE IN THREE-DIMENSIONAL PRINTING PROCESSES FOR THE MANUFACTURE OF ENERGETIC OBJECTS Nitrochemie Wimmis AG (CH) 2020-03-18 EP disclosed
US-20190055171-A1 ENERGETIC MATERIALS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETEN SCHAPPELIJK ONDERZOEK TNO (NL) 2019-02-21 US disclosed
EP-3433086-A1 ENERGETIC MATERIALS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2019-01-30 EP disclosed
WO-2018206087-A1 THERMOPLASTIC FILAMENT FOR USE IN THREE-DIMENSIONAL PRINTING PROCESSES FOR THE MANUFACTURE OF ENERGETIC OBJECTS NITROCHEMIE WIMMIS AG (CH) 2018-11-15 WO disclosed
WO-2017164731-A1 ENERGETIC MATERIALS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-09-28 WO disclosed
EP-3222408-A1 ENERGETIC MATERIALS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2017-09-27 EP disclosed
EP-1932817-A1 Nitratoethyl nitroamine propellant for automobile safety systems Nitrochemie Wimmis AG (CH) 2008-06-18 EP disclosed
EP-1932817-A1 Nitratoethyl nitroamine propellant for automobile safety systems Nitrochemie Wimmis AG (CH) 2008-06-18 EP disclosed
US-5574240-A Propellants useful in electrothermal-chemical guns HERCULES INCORPORATED (US) 1996-11-12 US disclosed
US-5520757-A Low vulnerability propellants ICI EXPLOSIVES USA INC. (US) 1996-05-28 US disclosed
US-5482581-A Low vulnerability propellant plasticizers ICI EXPLOSIVES USA INC. (US) 1996-01-09 US disclosed