SCHEMBL2116285

SCHEMBL2116285

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
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
SCHEMBL2116287 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1ACHETSHRTDP1
SCHEMBL10950356 0.80 ALDH1A1 (0.56) ALDH1A1TSHRTDP1
SCHEMBL10936087 0.80 ALDH1A1 (0.56) ALDH1A1TSHRTDP1
SCHEMBL2220993 0.79 ALDH1A1 (0.62) ALDH1A1TSHR
SCHEMBL9803543 0.79 ALDH1A1 (0.62) ALDH1A1TSHR
SCHEMBL7759159 0.79
SCHEMBL715313 0.78 ALDH1A1 (0.54) ALDH1A1
SCHEMBL2802430 0.76 ALDH1A1 (0.52) ALDH1A1
SCHEMBL11820966 0.75
SCHEMBL18209318 0.75 ALDH1A1 (0.38) ALDH1A1L3MBTL1ACHETSHRTDP1

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 46 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-20100293841-A1 Nitrated non-cyclic N-Alkane scaffolds with differentiated-mean combustive equivalencies as high energy density fuel improvers FUELTEK, INC. 2010-11-25 US 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
EP-0101093-A2 Diesel fuel composition ETHYL CORPORATION (US) 1984-02-22 EP claimed
US-4417903-A NITRO-ALKYLNITRATE ESTER ANTIKNOCK ADDITIVES ETHYL CORPORATION (US) 1983-11-29 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
CN-101445754-B Additive for improving low-temperature startup of methanol diesel oil SHANXI HUADUN INDUSTRY CO LTD 2012-08-22 CN 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
EP-0101093-A2 Diesel fuel composition ETHYL CORPORATION (US) 1984-02-22 EP disclosed
US-4417903-A NITRO-ALKYLNITRATE ESTER ANTIKNOCK ADDITIVES ETHYL CORPORATION (US) 1983-11-29 US disclosed
US-4417903-A NITRO-ALKYLNITRATE ESTER ANTIKNOCK ADDITIVES ETHYL CORPORATION (US) 1983-11-29 US disclosed