Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Octane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 6/20 | 0.68 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.68 |
| ▸ | FDPS | P14324 | 11/20 | 0.59 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.59 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL11131007 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Octane SCHEMBL4445679 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Decane SCHEMBL5015979 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Hexadecane SCHEMBL3437134 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Dodecane SCHEMBL1262800 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Phosphoric Acid SCHEMBL11052344 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Decane SCHEMBL16986478 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Octane SCHEMBL9461155 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Dodecane SCHEMBL11581918 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Octane SCHEMBL21854612 | 1.00 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3950168-A1 | MOULD MATERIAL MIXTURES ON THE BASIS OF INORGANIC BINDERS, AND METHOD FOR PRODUCING MOULDS AND CORES FOR METAL CASTING | ASK Chemicals GmbH (DE) | 2022-02-09 | — | — | EP | claimed |
| EP-2908968-B1 | MOULD MATERIAL MIXTURES ON THE BASIS OF INORGANIC BINDERS, AND METHOD FOR PRODUCING MOULDS AND CORES FOR METAL CASTING | ASK CHEMICALS GMBH (DE) | 2021-11-24 | — | — | EP | claimed |
| EP-2858770-B9 | MOLDING MATERIAL MIXTURES CONTAINING BARIUM SULFATE | ASK CHEMICALS GMBH (DE) | 2018-12-12 | — | — | EP | claimed |
| EP-2209572-B1 | MOULD MATERIAL MIXTURE HAVING IMPROVED FLOWABILITY | ASK CHEMICALS GMBH (DE) | 2016-12-14 | — | — | EP | claimed |
| EP-2858770-B1 | MOLDING MATERIAL MIXTURES CONTAINING BARIUM SULFATE | ASK CHEMICALS GMBH (DE) | 2016-10-12 | — | — | EP | claimed |
| EP-2908968-A2 | MOULD MATERIAL MIXTURES ON THE BASIS OF INORGANIC BINDERS, AND METHOD FOR PRODUCING MOULDS AND CORES FOR METAL CASTING | ASK Chemicals GmbH (DE) | 2015-08-26 | — | — | EP | claimed |
| EP-2858770-A2 | MOLDING MATERIAL MIXTURES CONTAINING BARIUM SULFATE | ASK Chemicals GmbH (DE) | 2015-04-15 | — | — | EP | claimed |
| WO-2014059968-A2 | MOULD MATERIAL MIXTURES ON THE BASIS OF INORGANIC BINDERS, AND METHOD FOR PRODUCING MOULDS AND CORES FOR METAL CASTING | ASK CHEMICALS GMBH (DE) | 2014-04-24 | — | — | WO | claimed |
| WO-2014059969-A2 | MOULD MATERIAL MIXTURES ON THE BASIS OF INORGANIC BINDERS, AND METHOD FOR PRODUCING MOULDS AND CORES FOR METAL CASTING | ASK CHEMICALS GMBH (DE) | 2014-04-24 | — | — | WO | claimed |
| WO-2014059967-A2 | MOULD MATERIAL MIXTURES ON THE BASIS OF INORGANIC BINDERS, AND METHOD FOR PRODUCING MOULDS AND CORES FOR METAL CASTING | ASK CHEMICALS GMBH (DE) | 2014-04-24 | — | — | WO | claimed |
| WO-2013182186-A2 | MOLDING MATERIAL MIXTURES CONTAINING BARIUM SULFATE | ASK CHEMICALS GMBH (DE) | 2013-12-12 | — | — | WO | claimed |
| EP-2209572-A1 | MOULD MATERIAL MIXTURE HAVING IMPROVED FLOWABILITY | Ashland Südchemie-Kernfest Gmbh (DE) | 2010-07-28 | — | — | EP | claimed |
| WO-2009056320-A1 | MOULD MATERIAL MIXTURE HAVING IMPROVED FLOWABILITY | Ashland-Südchemie-Kernfest GmbH (DE) | 2009-05-07 | — | — | WO | claimed |
| EP-1372383-B1 | A product comprising a susbtrate and an antimicrobial formulation | KIMBERLY CLARK CO (US) | 2008-07-09 | — | — | EP | claimed |
| EP-4010134-A1 | METHOD FOR PRODUCING AN ARTICLE FOR USE IN THE FOUNDRY INDUSTRY, CORRESPONDING GRANULAR MATERIAL AND KIT, APPARATUSES, AND USES | HÜTTENES-ALBERTUS Chemische Werke Gesellschaft mit beschränkter Haftung (DE) | 2022-06-15 | — | — | EP | disclosed |
| EP-3950168-A1 | MOULD MATERIAL MIXTURES ON THE BASIS OF INORGANIC BINDERS, AND METHOD FOR PRODUCING MOULDS AND CORES FOR METAL CASTING | ASK Chemicals GmbH (DE) | 2022-02-09 | — | — | EP | disclosed |
| EP-2934788-B9 | MOLD MATERIAL MIXTURES CONTAINING METAL OXIDES OF ALUMINUM AND ZIRCONIUM IN PARTICULATE FORM | ASK CHEMICALS GMBH (DE) | 2019-09-04 | — | — | EP | disclosed |
| EP-0521980-A1 | NOVEL SURFACTANTS AND SURFACTANT COMPOSITIONS | RICHARDSON-VICKS, INC. (US) | 1993-01-13 | — | — | EP | disclosed |
| WO-1991014693-A1 | NOVEL SURFACTANTS AND SURFACTANT COMPOSITIONS | RICHARDSON-VICKS, INC. (US) | 1991-10-03 | — | — | WO | disclosed |
| EP-0449503-A2 | Surfactant compositions | Richardson-Vicks, Inc. (US) | 1991-10-02 | — | — | EP | disclosed |