Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL2596532 | 1.00 | — | — | |
| Hexane SCHEMBL9775403 | 1.00 | TSHR (0.78) | — | |
| Iodide SCHEMBL9769999 | 0.94 | TSHR (0.89) | — | |
| Heptane SCHEMBL9775404 | 0.94 | — | — | |
| Dodecane SCHEMBL1436181 | 0.94 | TSHR (0.89) | — | |
| Decane SCHEMBL6404763 | 0.94 | TSHR (0.89) | — | |
| Heptane SCHEMBL2124278 | 0.94 | — | — | |
| Iodide SCHEMBL6404777 | 0.94 | TSHR (0.89) | — | |
| Nonane SCHEMBL132977 | 0.94 | TSHR (0.89) | — | |
| Decane SCHEMBL6379470 | 0.94 | TSHR (0.89) | — |
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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119192545-B | Copolymer containing imidazole and piperidine structures, and preparation method and application thereof | 烟台九目化学股份有限公司 | 2025-05-02 | — | — | CN | claimed |
| CN-119330975-B | A quaternary ammonium type fluorinated magnetic microporous organic network for detecting perfluoroalkyl substances in food, environment and biological samples | 山东第一医科大学(山东省医学科学院) | 2025-03-25 | — | — | CN | claimed |
| CN-119161564-B | Quinine structure-containing copolymer, and preparation method and application thereof | 烟台九目化学股份有限公司 | 2025-03-18 | — | — | CN | claimed |
| CN-119565396-A | Acid and alkali resistant positively charged composite nanofiltration membrane and preparation method and application thereof | 中国石油化工股份有限公司 | 2025-03-07 | — | — | CN | claimed |
| CN-119425422-A | Positively charged composite nanofiltration membrane and preparation method and application thereof | 中国石油化工股份有限公司 | 2025-02-14 | — | — | CN | claimed |
| CN-119330975-A | A quaternary ammonium type fluorinated magnetic microporous organic network for detecting perfluoroalkyl substances in food, environment and biological samples | 山东第一医科大学(山东省医学科学院) | 2025-01-21 | — | — | CN | claimed |
| CN-119192545-A | Copolymer containing imidazole and piperidine structures, and preparation method and application thereof | 烟台九目化学股份有限公司 | 2024-12-27 | — | — | CN | claimed |
| CN-119161564-A | Quinine structure-containing copolymer, and preparation method and application thereof | 烟台九目化学股份有限公司 | 2024-12-20 | — | — | CN | claimed |
| CN-118955848-A | Polyionic liquid ultraviolet photoelectric conversion material based on spirooxazine, and preparation method and application thereof | 四川大学 | 2024-11-15 | — | — | CN | claimed |
| CN-118136807-A | Silicon-based composite material, preparation method and application thereof, and lithium ion battery | 宁波杉杉新材料科技有限公司 | 2024-06-04 | — | — | CN | claimed |
| CN-116925095-A | Phenanthrene compound and preparation method and application thereof | 上海中医药大学 | 2023-10-24 | — | — | CN | claimed |
| CN-116693785-A | Nitrogen-containing heterocyclic polymer, polymer film and application thereof | 武汉立膜科技有限公司 | 2023-09-05 | — | — | CN | claimed |
| CN-116621845-A | chrysene -based fused ring compound, preparation method and application | 中节能万润股份有限公司 | 2023-08-22 | — | — | CN | claimed |
| CN-115636936-A | Ionized troger base high polymer material and preparation method and application thereof | 中国气象科学研究院 | 2023-01-24 | — | — | CN | claimed |
| CN-115109235-A | Imidazole type group functionalized polymer and preparation method and application thereof | 烟台九目化学股份有限公司 | 2022-09-27 | — | — | CN | claimed |
| CN-111952010-B | Flexible metal organic framework compound film and preparation method and application thereof | 陕西科技大学 | 2022-06-17 | — | — | CN | claimed |
| CN-114478152-A | Synthesis method of perfluoroalkane compound and derivative thereof | 中国科学院大学 | 2022-05-13 | — | — | CN | claimed |
| CN-102321104-B | Alkyl-bridged N-heterocyclic dicarbene metal complex as well as preparation method and application thereof | UNIV TIANJIN NORMAL | 2014-04-16 | — | — | CN | claimed |
| CN-102019202-A | Sulfonic acid dual-core ionic liquid catalyst and method for synthesizing poly (butylene succinate) by using same | NANJING UNIVERSITY OF TECHNOLOGY | 2011-04-20 | — | — | CN | claimed |
| US-5423284-A | Method for growing crystals of N-type II-VI compound semiconductors | KOKUSAI DENSHIN DENWA KABUSHIKI KAISHA (JP) | 1995-06-13 | — | — | US | claimed |