⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL6149980 | 0.85 | — | — | |
| P-Xylene SCHEMBL2137209 | 0.82 | — | — | |
| Toluene SCHEMBL1172029 | 0.80 | — | — | |
| Toluene SCHEMBL29362237 | 0.80 | — | — | |
| M-Xylene SCHEMBL17836908 | 0.78 | — | — | |
| Toluene SCHEMBL29732678 | 0.77 | — | — | |
| Toluene SCHEMBL6570552 | 0.71 | — | — | |
| Toluene SCHEMBL31050196 | 0.71 | — | — | |
| O-Xylene SCHEMBL3470526 | 0.69 | — | — | |
| SCHEMBL13643312 | 0.69 | — | — |
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
Appears in 2271 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4700010-A1 | 3,5,5-TRIMETHYLHEXANOIC ACID COMPOSITION, METHOD FOR PRODUCING SAID COMPOSITION, AND METHOD FOR IMPROVING SULFURIC ACID DISCOLORATION OF SAID COMPOSITION | KH Neochem Co., Ltd. (JP) | 2026-02-25 | — | — | EP | claimed |
| CN-120084913-A | GC-QTOF-MS-based method for measuring content of volatile benzene compounds in electronic cigarette and application | 云南省烟草质量监督检测站 | 2025-06-03 | — | — | CN | claimed |
| US-20250162972-A1 | 3,5,5-TRIMETHYLHEXANOIC ACID COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION AND METHOD FOR IMPROVING SULFURIC ACID COLORING OF THE COMPOSITION | KH NEOCHEM CO., LTD. (JP) | 2025-05-22 | — | — | US | claimed |
| US-20250107980-A1 | 3,5,5-TRIMETHYLHEXANOIC ACID COMPOSITION AND METHOD FOR IMPROVING STORAGE STABILITY THEREOF | KH NEOCHEM CO., LTD. (JP) | 2025-04-03 | — | — | US | claimed |
| US-12215063-B2 | Method for preparing deuterated compound | LG CHEM, LTD. (KR) | 2025-02-04 | — | — | US | claimed |
| US-20240400482-A1 | PRODUCTION METHOD FOR HIGH-PURITY 1,3-BUTYLENE GLYCOL | KH NEOCHEM CO., LTD. (JP) | 2024-12-05 | — | — | US | claimed |
| CN-118655236-A | Method for detecting volatile compounds in fermented soybeans | 贵州大学 | 2024-09-17 | — | — | CN | claimed |
| CN-118330080-A | Detection method, detection method package and detection data platform for volatile organic compounds in external environment sample | 长兴县疾病预防控制中心 | 2024-07-12 | — | — | CN | claimed |
| CN-118206547-A | Zolpidem-D7 compound and preparation method thereof | 公安部鉴定中心 | 2024-06-18 | — | — | CN | claimed |
| CN-117147746-A | Method for detecting content of 1, 4-dioxane in water | 杭州臻盛科技有限公司 | 2023-12-01 | — | — | CN | claimed |
| CN-113607852-A | Method for measuring turpentine in soil | 坛墨质检科技股份有限公司 | 2021-11-05 | — | — | CN | claimed |
| US-20210070896-A1 | ZIEGLER-NATTA CATALYST SYSTEMS AND METHODS OF CONTROLLING PARTICLE SIZE | BRASKEM AMERICA, INC. (US) | 2021-03-11 | — | — | US | claimed |
| CN-110108816-A | The HS-GC/MS measuring method of 11 kinds of volatile hazardous substances in students' supplies | 山东省产品质量检验研究院 | 2019-08-09 | — | — | CN | claimed |
| CN-109856256-A | With the detection method of volatile organic content in gas phase-mass spectrography measurement water body | 浙江科达检测有限公司 | 2019-06-07 | — | — | CN | claimed |
| CN-109557195-A | A kind of method of 82 kinds of volatile organic matters in accurate detection gas | 谱尼测试集团股份有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-106690401-B | Cigarette composition quality trends analysis method based on volatility characteristics component in pipe tobacco | 云南中烟工业有限责任公司 | 2018-01-30 | — | — | CN | claimed |
| CN-103675134-B | Method for detecting benzene series pollutants in gas by using internal standard method | SHANGHAI KINGXI LAB CO LTD | 2015-05-13 | — | — | CN | claimed |
| CN-103675134-A | Method for detecting benzene series pollutants in gas by using internal standard method | SHANGHAI KINGXI LAB CO LTD | 2014-03-26 | — | — | CN | claimed |
| EP-0283139-B1 | ANTICANCER COMPOUNDS | NORSK HYDRO A/S (NO) | 1993-01-13 | — | — | EP | claimed |
| EP-0283139-A2 | Anticancer compounds | NORSK HYDRO A/S (NO) | 1988-09-21 | — | — | EP | claimed |