SCHEMBL2116287

SCHEMBL2116287

CC(C)(CO[N+](=O)OCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2116285 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1ACHETSHRTDP1
SCHEMBL4821700 0.75 ALDH1A1 (0.38) ALDH1A1L3MBTL1ACHETSHRTDP1
SCHEMBL18209318 0.75 ALDH1A1 (0.38) ALDH1A1L3MBTL1ACHETSHRTDP1
SCHEMBL24056567 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2064090 0.75 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL16541056 0.73 ALDH1A1 (0.54) ALDH1A1
SCHEMBL7759165 0.73 CYP2C19 (0.39) ALDH1A1
SCHEMBL9937068 0.73
SCHEMBL10952518 0.71 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL17879073 0.71 ALDH1A1 (0.35) ALDH1A1L3MBTL1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119931727-A Fuel composition and application thereof 中国石油化工股份有限公司 2025-05-06 CN claimed
US-4536190-A MIXTURE OF NITRIC ACID ESTERS OF BI(OR TRI-)=CYCLIC ALCOHOLS AND ORGANIC NITRATES ETHYL CORPORATION (US) 1985-08-20 US claimed
US-4473378-A BLEND OF ALKYL NITRATE AND CETANE IMPROVER ETHYL CORPORATION (US) 1984-09-25 US claimed
CN-119931727-A Fuel composition and application thereof 中国石油化工股份有限公司 2025-05-06 CN disclosed
EP-2084249-B1 FUEL COMPOSITIONS COMPRISING FARNESANE AND FARNESANE DERIVATIVES AND METHOD OF MAKING AND USING SAME AMYRIS INC (US) 2016-12-21 EP disclosed
US-9109175-B2 Isoprenoid based alternative diesel fuel THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-18 US disclosed
US-8641788-B2 Fuels and fuel additives comprising butanol and pentanol IGP ENERGY, INC. (KY) 2014-02-04 US disclosed
US-20130298861-A1 ISOPRENOID BASED ALTERNATIVE DIESEL FUEL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-14 US disclosed
WO-2013086138-A1 FUELS AND FUEL ADDITIVES COMPRISING BUTANOL AND PENTANOL IGP ENERGY, INC. (KY) 2013-06-13 WO disclosed
WO-2012064740-A1 ISOPRENOID BASED ALTERNATIVE DIESEL FUEL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-18 WO disclosed
US-20120090226-A1 FUELS AND FUEL ADDITIVES COMPRISING BUTANOL AND PENTANOL IGP ENERGY, INC. (KY) 2012-04-19 US disclosed
US-5482518-A FUEL ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-01-09 US disclosed
US-5454842-A Tall oil fatty alcohol nitrate as antiknock compound fuel additives for diesel fuel, distillates EXXON RESEARCH & ENGINEERING CO. (US) 1995-10-03 US disclosed
EP-0313696-A1 Diesel fuel with improved cetane number and containing polynitrate esters and stabilizers MOBIL OIL CORPORATION (US) 1989-05-03 EP disclosed
US-4746326-A Cetane number of diesel fuel by incorporating polynitrate esters and stabilizers MOBIL OIL CORPORATION (US) 1988-05-24 US disclosed
US-4705534-A Cetane number of diesel fuel by incorporating polynitrate esters and stabilizers MOBIL OIL CORPORATION (US) 1987-11-10 US disclosed
US-4536190-A MIXTURE OF NITRIC ACID ESTERS OF BI(OR TRI-)=CYCLIC ALCOHOLS AND ORGANIC NITRATES ETHYL CORPORATION (US) 1985-08-20 US disclosed
US-4536190-A MIXTURE OF NITRIC ACID ESTERS OF BI(OR TRI-)=CYCLIC ALCOHOLS AND ORGANIC NITRATES ETHYL CORPORATION (US) 1985-08-20 US disclosed
US-4473378-A BLEND OF ALKYL NITRATE AND CETANE IMPROVER ETHYL CORPORATION (US) 1984-09-25 US disclosed
US-4473378-A BLEND OF ALKYL NITRATE AND CETANE IMPROVER ETHYL CORPORATION (US) 1984-09-25 US disclosed