SCHEMBL787360

SCHEMBL787360

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 4/20 0.36
CA9 Q16790 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.33
PTGS2 P35354 2/20 0.33
ESR2 Q92731 3/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL12136422 0.93 CA12 (0.39) CA12CA1CA2CA4CA9
SCHEMBL31605448 0.91 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL1774221 0.91 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL2739353 0.91 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL287823 0.86
Hexadecane SCHEMBL27925858 0.85 ALDH1A1 (0.39) CA12CA1CA2CA4CA9
SCHEMBL28547569 0.85 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL2739363 0.83 PTGS2 (0.36) CA12CA1CA2CA4CA9
SCHEMBL12857580 0.82 ESR2 (0.36) CA12CA1CA2CA4CA9
SCHEMBL1498349 0.81 LMNA (0.36) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8292976-B2 Diesel fuel additive for reducing emissions AFTON CHEMICAL CORPORATION (US) 2012-10-23 US claimed
US-20120066964-A1 Additives for Reduction of Exhaust Emissions from Compression Ignition Engines BAKER HUGHES INCORPORATED (US) 2012-03-22 US claimed
US-20110107658-A1 DIESEL FUEL ADDITIVE FOR REDUCING EMISSIONS AFTON CHEMICAL CORPORATION (US) 2011-05-12 US claimed
US-20100325944-A1 Additives for Cetane Improvement in Middle Distillate Fuels BAKER HUGHES INCORPORATED (US) 2010-12-30 US claimed
WO-2008150950-A1 ADDITIVES FOR REDUCTION OF EXHAUST EMISSIONS FROM COMPRESSION IGNITION ENGINES BAKER HUGHES INCORPORATED (US) 2008-12-11 WO claimed
US-20080295395-A1 Additives for Reduction of Exhaust Emissions From Compression Ignition Engines BAKER HUGHES INCORPORATED (US) 2008-12-04 US claimed
CN-1718699-A Catalytic combustion adjuvant for coal YIN XIAOLIN (CN) 2006-01-11 CN claimed
WO-1996025473-A1 DIESEL FUELS BP CHEMICALS (ADDITIVES) LIMITED (GB) 1996-08-22 WO claimed
WO-2022096930-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-05-12 WO disclosed
US-9446015-B2 Quinone based nitric oxide donating compounds for ophthalmic use NICOX SCIENCE IRELAND (IE) 2016-09-20 US disclosed
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-9162969-B2 Nitrooxyesters, their preparation and use DSM IP ASSETS B.V. (NL) 2015-10-20 US disclosed
US-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2015-10-08 US disclosed
US-9079821-B2 Quinone based nitric oxide donating compounds NICOX SCIENCE IRELAND (IE) 2015-07-14 US disclosed
US-4227889-A MONOHYDROXY ALKANOL, FUEL OIL, DIMER FATTY ACID ETHYL CORPORATION (US) 1980-10-14 US disclosed
US-4208190-A MONOHYDROXY ALKANOL, ALIPHATIC PRIMARY AMINE ETHYL CORPORATION (US) 1980-06-17 US disclosed
US-4204481-A A MONOHYDROXY ALCOHOL AND A FATTY ACID AMIDE OR DIETHANOLAMINE ETHYL CORPORATION (US) 1980-05-27 US disclosed
US-4198931-A ANTI-WEAR COMPRESSION IGNITION FUEL COMPRISING ALCOHOL AND N-HYDROXY HYDROCARBONAMIDE ETHYL CORPORATION (US) 1980-04-22 US disclosed
US-4185594-A ALKANOL, IGNITION ACCELERATOR, DIMERIZED UNSATURATED FATTY ACID ETHYL CORPORATION (US) 1980-01-29 US disclosed
US-4177768-A Fuel compositions ETHYL CORPORATION (US) 1979-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NOS1, NOS3, NOS2 CA12 4487/4885CA1 4736/4885CA2 1286/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.