Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Heptane. 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 | |
|---|---|---|---|---|
| Pentadecane SCHEMBL31325852 | 1.00 | TSHR (0.89) | — | |
| Heptane SCHEMBL9775404 | 1.00 | — | — | |
| Decane SCHEMBL4069588 | 1.00 | TSHR (0.89) | — | |
| Dodecane SCHEMBL1436181 | 1.00 | TSHR (0.89) | — | |
| Decane SCHEMBL6404763 | 1.00 | TSHR (0.89) | — | |
| Decane SCHEMBL6379470 | 1.00 | TSHR (0.89) | — | |
| Iodide SCHEMBL9769999 | 1.00 | TSHR (0.89) | — | |
| Iodide SCHEMBL6404777 | 1.00 | TSHR (0.89) | — | |
| Nonane SCHEMBL132977 | 1.00 | TSHR (0.89) | — | |
| Tridecane SCHEMBL31325853 | 1.00 | 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 126 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-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 |
| WO-2025002452-A1 | LIQUID ORGANIC COMPOSITION FOR LITHIUM EXTRACTION, AND PREPARATION METHOD THEREFOR | 北京索特莱克科技发展有限公司 | 2025-01-02 | — | — | WO | 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-117402326-B | Naphthol bisimidazole type membrane material and preparation method and application thereof | 烟台九目化学股份有限公司 | 2024-03-22 | — | — | CN | claimed |
| CN-116693785-B | Nitrogen-containing heterocyclic polymer, polymer film and application thereof | 武汉立膜科技有限公司 | 2024-02-09 | — | — | CN | claimed |
| CN-117402326-A | Naphthol bisimidazole type membrane material and preparation method and application thereof | 烟台九目化学股份有限公司 | 2024-01-16 | — | — | 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-116284078-A | Long-wavelength AIE array sensor and preparation method and application thereof | 南京农业大学 | 2023-06-23 | — | — | CN | claimed |
| CN-115505105-A | High-performance alkaline polyelectrolyte membrane and preparation method thereof | 中国科学技术大学 | 2022-12-23 | — | — | CN | claimed |
| CN-115181250-A | Side chain imidazole functionalized polymer and preparation method and application thereof | 烟台九目化学股份有限公司 | 2022-10-14 | — | — | 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-107286337-B | A kind of piperazine functionalized polyphenylene oxide alkaline anion-exchange membrane and preparation method thereof | 大连理工大学 | 2019-04-09 | — | — | CN | claimed |
| CN-107286337-A | A kind of piperazine functionalized polyphenylene oxide alkaline anion-exchange membrane and preparation method thereof | 大连理工大学 | 2017-10-24 | — | — | CN | claimed |
| CN-102381947-B | Synthesis method of chiral 2,2 '- di-alkoxy-1, 1'-binaphthyl | UNIV DALIAN TECH | 2014-03-12 | — | — | CN | claimed |
| CN-102381947-A | Synthesis method of chiral 2,2 '- di-alkoxy-1, 1'-binaphthyl | UNIV DALIAN TECH | 2012-03-21 | — | — | 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 |