SCHEMBL8975842

SCHEMBL8975842

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MMP2 P08253 1/20 0.30
MMP9 P14780 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
SCHEMBL2681712 0.89 ALDH1A1 (0.39) ALDH1A1MMP2MMP9
SCHEMBL5590855 0.89 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5072598 0.88 ALDH1A1 (0.34) ALDH1A1MMP2MMP9
SCHEMBL6124294 0.87 ALDH1A1 (0.37) ALDH1A1MMP2MMP9
SCHEMBL28115043 0.82 TSHR (0.40) ALDH1A1
SCHEMBL27921389 0.78
SCHEMBL28483349 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL324772 0.73
Butane SCHEMBL7083181 0.73 ALDH1A1 (0.43) ALDH1A1
SCHEMBL5069953 0.72 ALDH1A1 (0.36) ALDH1A1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274898-A1 ENERGETIC MATERIALS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2022-09-01 US 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-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
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