Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexadecane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | CES2 | O00748 | 4/20 | 0.52 |
| ▸ | CES1 | P23141 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 4/20 | 0.43 |
| ▸ | PPARD | Q03181 | 4/20 | 0.43 |
| ▸ | PPARA | Q07869 | 4/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL27389558 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CES2CES1TSHRTHRB | |
| Dodecane SCHEMBL29645029 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CES2CES1TSHRTHRB | |
| Heptane SCHEMBL27401561 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CES2CES1TSHRTHRB | |
| Decane SCHEMBL15053043 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CES2CES1TSHRTHRB | |
| Nonane SCHEMBL27883833 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CES2CES1TSHRTHRB | |
| Octane SCHEMBL8954452 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CES2CES1TSHRTHRB | |
| Octane SCHEMBL9793297 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CES2CES1TSHRTHRB | |
| Nitric Acid SCHEMBL27586906 | 0.97 | ALDH1A1 (0.59) | ALDH1A1CES2CES1TSHRTHRB | |
| Heptane SCHEMBL27357041 | 0.97 | ALDH1A1 (0.59) | ALDH1A1CES2CES1TSHRTHRB | |
| Hexane SCHEMBL27687689 | 0.97 | ALDH1A1 (0.57) | ALDH1A1CES2CES1TSHRTHRB |
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 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117030694-A | Method for measuring content of nitrate cetane number improver in vehicle diesel oil by oxidation-colorimetry | 中国石油化工股份有限公司 | 2023-11-10 | — | — | CN | claimed |
| CN-102906408-A | Ammonia-burning internal combustion engine | TOYOTA MOTOR CO LTD | 2013-01-30 | — | — | CN | claimed |
| EP-1123365-B1 | WATER FUEL EMULSIFIED COMPOSITIONS | LUBRIZOL CORP (US) | 2009-03-18 | — | — | EP | claimed |
| EP-2034005-A1 | Fuel additive concentrate derived from a biomass resource | Furanix Technologies B.V (NL) | 2009-03-11 | — | — | EP | claimed |
| US-20050120619-A1 | Emulsified fuel compositions prepared employing emulsifier derived from high polydispersity olefin polymers | KOCH FREDERICK W (US) | 2005-06-09 | — | — | US | claimed |
| US-6858046-B2 | Emulsified water-blended fuel compositions | THE LUBRIZOL CORPORATION (US) | 2005-02-22 | — | — | US | claimed |
| EP-1412624-A4 | EMULSIFIED FUEL COMPOSITIONS PREPARED EMPLOYING EMULSIFIER DERIVED FROM HIGH POLYDISPERSITY OLEFIN POLYMERS | LUBRIZOL CORP (US) | 2004-12-01 | — | — | EP | claimed |
| EP-1412624-A2 | EMULSIFIED FUEL COMPOSITIONS PREPARED EMPLOYING EMULSIFIER DERIVED FROM HIGH POLYDISPERSITY OLEFIN POLYMERS | THE LUBRIZOL CORPORATION (US) | 2004-04-28 | — | — | EP | claimed |
| US-6648929-B1 | Containing hydrocarbyl substituted succinic acid or anhydride and ammonia or an amine; stability | THE LUBRIZOL CORPORATION | 2003-11-18 | — | — | US | claimed |
| WO-2003002856-A2 | EMULSIFIED FUEL COMPOSITIONS PREPARED EMPLOYING EMULSIFIER DERIVED FROM HIGH POLYDISPERSITY OLEFIN POLYMERS | THE LUBRIZOL CORPORATION (US) | 2003-01-09 | — | — | WO | claimed |
| EP-1123365-A1 | WATER FUEL EMULSIFIED COMPOSITIONS | The Lubrizol Corporation (US) | 2001-08-16 | — | — | EP | claimed |
| WO-2000015740-A1 | WATER FUEL EMULSIFIED COMPOSITIONS | THE LUBRIZOL CORPORATION (US) | 2000-03-23 | — | — | WO | claimed |
| EP-0641854-B1 | Diesel fuel | ARCO CHEM TECH (US) | 1998-12-30 | — | — | EP | claimed |
| EP-0641854-A1 | Diesel fuel | ARCO Chemical Technology, L.P. (US) | 1995-03-08 | — | — | EP | claimed |
| US-5308365-A | Hydrocarbons with emission reducing glycerol ether | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1994-05-03 | — | — | US | claimed |
| EP-0243495-B1 | DIESEL FUEL COMPOSITION | The Lubrizol Corporation (US) | 1990-10-03 | — | — | EP | claimed |
| US-4943303-A | FOR DIESEL FUELS, SULFUR COMPOUNDS, ANTIKNOCK RATING | THE LUBRIZOL CORPORATION (US) | 1990-07-24 | — | — | US | claimed |
| EP-0243495-A1 | Diesel fuel composition. | LUBRIZOL CORP (US) | 1987-11-04 | — | — | EP | claimed |
| WO-1987003295-A1 | A CETANE IMPROVER | THE LUBRIZOL CORPORATION (US) | 1987-06-04 | — | — | WO | claimed |
| US-4448587-A | ALKYL NITRATES AND ALKOXYALKYL NITRATES AS ADDITIVES | ETHYL CORPORATION (US) | 1984-05-15 | — | — | US | claimed |