SCHEMBL2778424

SCHEMBL2778424

CCCCOCCO[N+](=O)OCCOCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
RARB P10826 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CES2 O00748 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL11057248 0.91 MEN1 (0.54) TSHRCYP3A4MEN1THRBHTT
SCHEMBL11058155 0.91 MEN1 (0.54) TSHRCYP3A4MEN1THRBHTT
SCHEMBL11058838 0.91 MEN1 (0.54) TSHRCYP3A4MEN1THRBHTT
SCHEMBL3639078 0.91 TSHR (0.46) TSHRCYP3A4MEN1THRBHTT
SCHEMBL11055249 0.85 CYP3A4 (0.33) TSHRCYP3A4MEN1THRBHTT
SCHEMBL326036 0.85 CYP3A4 (0.42) TSHRCYP3A4THRBSMN1; SMN2HPGD
Water SCHEMBL11127184 0.82 CYP3A4 (0.40) TSHRCYP3A4SMN1; SMN2HPGDADRB2
Ammonia Solution, Strong SCHEMBL5550497 0.82 CYP3A4 (0.40) TSHRCYP3A4SMN1; SMN2HPGDADRB2
Phosphine SCHEMBL3822065 0.82 CYP3A4 (0.46) TSHRCYP3A4SMN1; SMN2HPGDADRB2
SCHEMBL2778250 0.82 TSHR (0.47) TSHRCYP3A4MEN1THRBHTT

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 20 patents. 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
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
WO-2007139925-A2 FUEL COMPONENTS, FUEL COMPOSITIONS AND METHODS OF MAKING AND USING SAME AMYRIS BIOTECHNOLOGIES, INC. (US) 2007-12-06 WO disclosed
EP-0129995-B2 A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS AECI LIMITED (ZA) 1993-09-08 EP 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