SCHEMBL2778418

SCHEMBL2778418

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA9 Q16790 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RARB P10826 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
SCHEMBL2778250 1.00 TSHR (0.47) TSHRCYP3A4ALDH1A1MEN1THRB
SCHEMBL29284725 0.94 TSHR (0.42) TSHRCYP3A4ALDH1A1MEN1THRB
SCHEMBL11058834 0.92 MEN1 (0.50) TSHRCYP3A4ALDH1A1MEN1THRB
SCHEMBL11057233 0.92 MEN1 (0.50) TSHRCYP3A4ALDH1A1MEN1THRB
SCHEMBL11058152 0.92 MEN1 (0.50) TSHRCYP3A4ALDH1A1MEN1THRB
SCHEMBL3639076 0.91 TSHR (0.43) TSHRCYP3A4ALDH1A1MEN1THRB
SCHEMBL9505491 0.86 ALDH1A1 (0.37) TSHRCYP3A4ALDH1A1CA12CA1
SCHEMBL326035 0.86
SCHEMBL8957496 0.85 MEN1 (0.47) TSHRALDH1A1MEN1THRBHTT
SCHEMBL3777467 0.85 MEN1 (0.47) TSHRALDH1A1MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038530-A2 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME Amyris Biotechnologies, Inc. (US) 2009-03-25 EP claimed
WO-2007139925-A2 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME AMYRIS BIOTECHNOLOGIES, INC. (US) 2007-12-06 WO claimed
EP-0129995-B2 A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS AECI LIMITED (ZA) 1993-09-08 EP claimed
EP-0129995-B1 A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS AECI LIMITED (ZA) 1987-05-13 EP claimed
US-10590357-B2 Diesel fuel composition Gas Technologies L.L.C. (US) 2020-03-17 US disclosed
US-20170145329-A1 DIESEL FUEL COMPOSITION GASTECHNO CORP. 2017-05-25 US disclosed
US-9587189-B2 Diesel fuel composition Gas Technologies L.L.C. (US) 2017-03-07 US disclosed
WO-2015050991-A1 DIESEL FUEL COMPOSITION Gas Technologies L.L.C. (US) 2015-04-09 WO disclosed
US-20150089862-A1 Diesel Fuel Composition GASTECHNO CORP. 2015-04-02 US disclosed
US-7854774-B2 Fuel components, fuel compositions and methods of making and using same AMYRIS BIOTECHNOLOGIES, INC. (US) 2010-12-21 US disclosed
EP-2038530-A2 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME Amyris Biotechnologies, Inc. (US) 2009-03-25 EP disclosed
US-20080092829-A1 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME AMYRIS BIOTECHNOLOGIES, INC. (US) 2008-04-24 US disclosed
US-4853157-A Process for the manufacture of nitric acid esters AECI LIMITED (ZA) 1989-08-01 US disclosed
EP-0129995-B1 A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS AECI LIMITED (ZA) 1987-05-13 EP disclosed
US-4541837-A Fuels AECI LIMITED (ZA) 1985-09-17 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
EP-0129995-A2 A process for the manufacture of nitric acid esters AECI LIMITED (ZA) 1985-01-02 EP disclosed
US-4479905-A Nitration process ETHYL CORPORATION (US) 1984-10-30 US disclosed
US-4448587-A ALKYL NITRATES AND ALKOXYALKYL NITRATES AS ADDITIVES ETHYL CORPORATION (US) 1984-05-15 US disclosed
EP-0030429-A2 Fuels and a method of running an engine using such fuels AECI LIMITED (ZA) 1981-06-17 EP disclosed