SCHEMBL7201090

SCHEMBL7201090

[CH2]C(CCCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1998822 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTDP1
SCHEMBL11565311 0.69 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL10717697 0.69 ALDH1A1 (0.46) ALDH1A1TSHRTDP1
SCHEMBL15443091 0.68 LMNA (0.44) ALDH1A1TSHRTDP1
SCHEMBL4530042 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9760638 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11514321 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1720481 0.65
SCHEMBL67858 0.65
SCHEMBL4104466 0.64 TSHR (0.42) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620268-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-09-16 US claimed
US-20010030009-A1 Energetic plasticizer comprising eutetic mixture of bis (2,2-dinitropropyl) formal, 2,2-dinitropropyl 2,2-dinitrobutyl formal and bis (2,2-dinitrobutyl) formal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US claimed
US-6620268-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-09-16 US disclosed
US-6620268-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-09-16 US disclosed
US-6620268-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-09-16 US disclosed
US-6592692-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-07-15 US disclosed
US-20010030009-A1 Energetic plasticizer comprising eutetic mixture of bis (2,2-dinitropropyl) formal, 2,2-dinitropropyl 2,2-dinitrobutyl formal and bis (2,2-dinitrobutyl) formal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US disclosed
US-20010030008-A1 Energetic plasticizer comprising bis(2,2-dinitropropyl) formal and bis(2,2-dinitropropyl) diformal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US disclosed
US-20010030009-A1 Energetic plasticizer comprising eutetic mixture of bis (2,2-dinitropropyl) formal, 2,2-dinitropropyl 2,2-dinitrobutyl formal and bis (2,2-dinitrobutyl) formal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US disclosed
US-20010030009-A1 Energetic plasticizer comprising eutetic mixture of bis (2,2-dinitropropyl) formal, 2,2-dinitropropyl 2,2-dinitrobutyl formal and bis (2,2-dinitrobutyl) formal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US disclosed