⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Octane SCHEMBL26632661 | 0.94 | — | — | |
| Hexane SCHEMBL5017645 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL9557662 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL8151140 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL11650566 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL9859565 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL399 | 0.94 | — | — | |
| Hexane SCHEMBL357364 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL8705498 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL25197899 | 0.88 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11834405-B2 | Hexane as a by-product of isomerization unit using a dividing wall column | BHARAT PETROLEUM CORPORATION LIMITED (IN) | 2023-12-05 | — | — | US | claimed |
| CN-114096338-B | Purification of hexane as a by-product of isomerization units using divided wall columns | 苏尔寿管理有限公司 | 2023-09-29 | — | — | CN | claimed |
| EP-3942000-B1 | METHOD OF PRODUCING HEXANE FROM A C5-C6 ISOMERIZATION UNIT STREAM USING A DIVIDING WALL COLUMN | SULZER MANAGEMENT AG (CH) | 2023-08-16 | — | — | EP | claimed |
| US-20220227688-A1 | HEXANE AS A BY-PRODUCT OF ISOMERIZATION UNIT USING A DIVIDING WALL COLUMN | Sulzer GTC Technology US Inc. | 2022-07-21 | — | — | US | claimed |
| CN-114096338-A | Purification of hexane as a by-product of an isomerization unit using a divided wall column | 苏尔寿管理有限公司 | 2022-02-25 | — | — | CN | claimed |
| EP-3942000-A1 | PURIFICATION OF HEXANE AS BY-PRODUCT OF AN ISOMERIZATION UNIT USING A DIVIDING WALL COLUMN | Sulzer Management AG (CH) | 2022-01-26 | — | — | EP | claimed |
| WO-2020229892-A1 | PURIFICATION OF HEXANE AS BY-PRODUCT OF AN ISOMERIZATION UNIT USING A DIVIDING WALL COLUMN | SULZER MANAGEMENT AG (CH) | 2020-11-19 | — | — | WO | claimed |
| US-11834405-B2 | Hexane as a by-product of isomerization unit using a dividing wall column | BHARAT PETROLEUM CORPORATION LIMITED (IN) | 2023-12-05 | — | — | US | disclosed |
| CN-114096338-B | Purification of hexane as a by-product of isomerization units using divided wall columns | 苏尔寿管理有限公司 | 2023-09-29 | — | — | CN | disclosed |
| WO-2023161267-A1 | A METHOD AND PLANT FOR ENERGY EFFICIENTLY PRODUCING N-HEXANE AND ISOMERATE HAVING A HIGH OCTANE NUMBER | SULZER MANAGEMENT AG (CH) | 2023-08-31 | — | — | WO | disclosed |
| EP-4234660-A1 | A METHOD AND PLANT FOR ENERGY EFFICIENTLY PRODUCING N-HEXANE AND ISOMERATE HAVING A HIGH OCTANE NUMBER | Sulzer Management AG (CH) | 2023-08-30 | — | — | EP | disclosed |
| EP-3942000-B1 | METHOD OF PRODUCING HEXANE FROM A C5-C6 ISOMERIZATION UNIT STREAM USING A DIVIDING WALL COLUMN | SULZER MANAGEMENT AG (CH) | 2023-08-16 | — | — | EP | disclosed |
| US-20220227688-A1 | HEXANE AS A BY-PRODUCT OF ISOMERIZATION UNIT USING A DIVIDING WALL COLUMN | Sulzer GTC Technology US Inc. | 2022-07-21 | — | — | US | disclosed |
| CN-114096338-A | Purification of hexane as a by-product of an isomerization unit using a divided wall column | 苏尔寿管理有限公司 | 2022-02-25 | — | — | CN | disclosed |
| EP-3942000-A1 | PURIFICATION OF HEXANE AS BY-PRODUCT OF AN ISOMERIZATION UNIT USING A DIVIDING WALL COLUMN | Sulzer Management AG (CH) | 2022-01-26 | — | — | EP | disclosed |
| WO-2020229892-A1 | PURIFICATION OF HEXANE AS BY-PRODUCT OF AN ISOMERIZATION UNIT USING A DIVIDING WALL COLUMN | SULZER MANAGEMENT AG (CH) | 2020-11-19 | — | — | WO | disclosed |
| CN-1084737-C | Substituted sulphonyl amino (thio) carbonyl compounds and their use as herbicides | BAYER AG (DE) | 2002-05-15 | — | — | CN | disclosed |