⚠ 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 SCHEMBL28068650 | 1.00 | TSHR (0.54) | — | |
| Hexane SCHEMBL21801281 | 1.00 | TSHR (0.54) | — | |
| Heptane SCHEMBL730699 | 0.96 | TSHR (0.61) | — | |
| Octane SCHEMBL28423459 | 0.96 | TSHR (0.61) | — | |
| Octane SCHEMBL28685821 | 0.96 | TSHR (0.61) | — | |
| Heptane SCHEMBL11839960 | 0.96 | TSHR (0.61) | — | |
| Nonane SCHEMBL3803426 | 0.96 | TSHR (0.61) | — | |
| Hexane SCHEMBL23782662 | 0.93 | TSHR (0.47) | — | |
| Octane SCHEMBL28423377 | 0.93 | TSHR (0.57) | — | |
| Hexane SCHEMBL22689637 | 0.93 | TSHR (0.47) | — |
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 369 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117430607-A | Method for extracting caffeine from coffee beans | 杭州天草科技有限公司 | 2024-01-23 | — | — | CN | claimed |
| CN-116500171-A | Method for detecting rosemary extract in vegetable oil by high performance liquid chromatography | 国家粮食和物资储备局科学研究院 | 2023-07-28 | — | — | CN | claimed |
| CN-116482250-A | Application of triazine-trimesic aldehyde covalent organic framework in enrichment and detection of sulfonamide antibiotics in food samples | 华南农业大学 | 2023-07-25 | — | — | CN | claimed |
| CN-115819355-A | Method for synthesizing pyrimidine compounds by using microchannel reaction device | 南京工业大学 | 2023-03-21 | — | — | CN | claimed |
| CN-114740122-A | Method for detecting lincomycin in animal food | 华南农业大学 | 2022-07-12 | — | — | CN | claimed |
| US-11034639-B2 | Methods of purifying cannabinoids using liquid:liquid chromatography | PHYTOPLANT RESEARCH S.L. (ES) | 2021-06-15 | — | — | US | claimed |
| CN-112946146-A | Pretreatment method of biological sample containing hormone residue based on accelerated solvent extraction method | 中国人民解放军军事科学院军事医学研究院 | 2021-06-11 | — | — | CN | claimed |
| EP-3746419-A1 | METHODS OF PURIFYING CANNABINOIDS USING LIQUID:LIQUID CHROMATOGRAPHY | Phytoplant Research S.L. (ES) | 2020-12-09 | — | — | EP | claimed |
| CN-111505134-A | Method for determining melatonin in excrement by using high performance liquid chromatography | 华中农业大学 | 2020-08-07 | — | — | CN | claimed |
| CN-110618217-A | Method for detecting heterocyclic amine substances in grease | 河南工业大学 | 2019-12-27 | — | — | CN | claimed |
| WO-2014128545-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR | AUROBINDO PHARMA LIMITED (IN) | 2014-08-28 | — | — | WO | claimed |
| US-8673251-B2 | Methods of preparing Clusterboron | SEMEQUIP, INC. (US) | 2014-03-18 | — | — | US | claimed |
| CN-102680634-A | Liquid chromatogram-tandem mass spectrum method for detecting congo dye in food and application thereof | NANJING INST OF SUPERVISION & TESTING ON PRODUCT QUALITY | 2012-09-19 | — | — | CN | claimed |
| US-20110165053-A1 | METHODS OF PREPARING CLUSTERBORON | SEMEQUIP, INC | 2011-07-07 | — | — | US | claimed |
| EP-2212251-A1 | METHODS OF PREPARING CLUSTERBORON | Semequip, Inc. (US) | 2010-08-04 | — | — | EP | claimed |
| WO-2009058406-A1 | METHODS OF PREPARING CLUSTERBORON | SEMEQUIP, INC. (US) | 2009-05-07 | — | — | WO | claimed |
| CN-101130522-A | Novel method for synthesizing fungicide tebuconazole | SHANGHAI SHENGNONG PESTICIDE C (CN) | 2008-02-27 | — | — | CN | claimed |
| CN-1651428-A | Preparation method of hydrobromic acid antifebrile dichroanone | SHANGHAI YINNUO BIOCHEMICAL SC (CN) | 2005-08-10 | — | — | CN | claimed |
| US-4753714-A | IMPREGNATION WITH SETTABLE FLUID, FLOWING THROUGH IMMISCIBLE FLUID, SOLIDIFICATION | ESA, INC. (US) | 1988-06-28 | — | — | US | claimed |
| EP-0223532-A2 | Method of optimizing flow pattern and increasing signal-to-noise ratios in electrochemical flow through sensors | ESA, Inc. (US) | 1987-05-27 | — | — | EP | claimed |