SCHEMBL12475872

SCHEMBL12475872

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 6/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 2/20 0.33
DNM1 Q05193 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
BLM P54132 2/20 0.31
EGFR P00533 2/20 0.31
ERBB2 P04626 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 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
SCHEMBL12476036 0.96 DGKA (0.42) DGKATDP1ALDH1A1MAPTCRHBP
SCHEMBL11146871 0.76
SCHEMBL10895744 0.74 ALOX15 (0.41) ALDH1A1MAPTCRHBPCRHR2L3MBTL1
Potassium Ion SCHEMBL10895736 0.74 ALOX15 (0.41) ALDH1A1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL12475921 0.73 TSHR (0.52) ALDH1A1MAPTL3MBTL1TSHRKDM4E
SCHEMBL15608220 0.73 DGKA (0.56) DGKATDP1ALDH1A1MAPTTSHR
SCHEMBL2502947 0.72 TSHR (0.48) ALDH1A1TSHRCYP3A4HIF1A
SCHEMBL14672499 0.71 DGKA (0.48) DGKATDP1ALDH1A1MAPTTSHR
SCHEMBL10386617 0.71 ALDH1A1 (0.48) ALDH1A1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL28214720 0.70 DGKA (0.41) DGKATDP1ALDH1A1MAPTL3MBTL1

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-20160033250-A1 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-02-04 US claimed
US-11040922-B2 Hydrogen peroxide solvates of energetic materials THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-06-22 US disclosed
US-20190002361-A1 HYDROGEN PEROXIDE SOLVATES OF ENERGETIC MATERIALS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-01-03 US disclosed
US-20160033250-A1 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-02-04 US disclosed
US-9096530-B2 Crystalline explosive material THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-08-04 US disclosed
US-20120305150-A1 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-06 US disclosed
WO-2012109354-A2 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-16 WO disclosed