SCHEMBL6574509

SCHEMBL6574509

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.38
CA1 P00915 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.31
ALDH3A1 P30838 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HCAR3 P49019 1/20 0.30
VCAM1 P19320 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
SCHEMBL16726924 0.83 ALDH1A1 (0.46) TSHRALDH1A1CA1CYP3A4MAPK1
SCHEMBL11399674 0.81 ALDH1A1 (0.46) TSHRALDH1A1CA1MAPTCA12
SCHEMBL11789899 0.81 TSHR (0.33) TSHR
SCHEMBL28115043 0.77 TSHR (0.40) TSHRALDH1A1CA1TDP1CYP3A4
SCHEMBL7074066 0.75
SCHEMBL27921389 0.72
Silver SCHEMBL28326742 0.71 TSHR (0.40) TSHRALDH1A1CA1TDP1CYP3A4
SCHEMBL9449425 0.70
Nitric Acid SCHEMBL5875019 0.69 CA5A (0.44) TSHRALDH1A1CA1TDP1CYP3A4
SCHEMBL29071709 0.69 TSHR (0.38) TSHRALDH1A1CA1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117529340-A Improved compositions for delivery of mRNA 翻译生物公司 2024-02-06 CN disclosed
US-20040237383-A1 Combustion modifiers for water-blended fuels LUBRIZOL CORPORATION, THE 2004-12-02 US disclosed
EP-1408788-A1 COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS THE LUBRIZOL CORPORATION (US) 2004-04-21 EP disclosed
WO-2002068334-A1 COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS THE LUBRIZOL CORPORATION (US) 2002-09-06 WO disclosed