⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8159611 | 1.00 | — | — | |
| SCHEMBL31244839 | 1.00 | — | — | |
| SCHEMBL5691674 | 0.93 | CYP1A2 (0.63) | — | |
| SCHEMBL7156515 | 0.93 | CYP1A2 (0.63) | — | |
| SCHEMBL7034577 | 0.91 | CYP1A2 (0.67) | — | |
| SCHEMBL15659488 | 0.91 | CYP1A2 (0.67) | — | |
| SCHEMBL11510254 | 0.91 | CYP1A2 (0.67) | — | |
| SCHEMBL15658600 | 0.91 | CYP1A2 (0.67) | — | |
| SCHEMBL20625376 | 0.91 | CYP1A2 (0.67) | — | |
| SCHEMBL15656881 | 0.91 | CYP1A2 (0.67) | — |
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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120130678-A | Preparation method of mixed tobacco electronic cigarette liquid | 广州华芳烟用香精有限公司 | 2025-06-13 | — | — | CN | claimed |
| CN-119619344-A | Corn freshness classification method based on machine learning algorithm | 国家粮食和物资储备局科学研究院 | 2025-03-14 | — | — | CN | claimed |
| US-20240392063-A1 | Polyhydroxyalkanoate Copolymers Prepared by Ring-Opening Polymerization and Related Compositions and Articles | EXXONMOBIL CHEMICAL PATENTS INC (US) | 2024-11-28 | — | — | US | claimed |
| CN-118266620-A | Electronic cigarette tobacco tar and electronic cigarette | 比亚迪精密制造有限公司 | 2024-07-02 | — | — | CN | claimed |
| CN-118272156-A | Tobacco essence and preparation method thereof, electronic cigarette tobacco tar and electronic cigarette | 比亚迪精密制造有限公司 | 2024-07-02 | — | — | CN | claimed |
| CN-118266622-A | Grapefruit-flavored essence, grapefruit-flavored electronic cigarette tobacco tar and preparation method thereof | 比亚迪精密制造有限公司 | 2024-07-02 | — | — | CN | claimed |
| CN-118085960-A | Elegant flavor essence, electronic cigarette tobacco tar and preparation method and application thereof | 比亚迪精密制造有限公司 | 2024-05-28 | — | — | CN | claimed |
| CN-115097020-B | Method for screening and confirming composite tobacco flavor based on gas chromatography-quadrupole/electrostatic field orbit trap high-resolution mass spectrum | 国家烟草质量监督检验中心 | 2024-05-14 | — | — | CN | claimed |
| CN-118020992-A | Electronic atomization device and electronic atomization liquid thereof | 思摩尔国际控股有限公司 | 2024-05-14 | — | — | CN | claimed |
| CN-117897055-A | Method for reducing abnormal odor | 奇华顿股份有限公司 | 2024-04-16 | — | — | CN | claimed |
| CN-113557259-B | Biosynthesis of gamma-and delta-lactones using cytochrome P450 enzymes with subterminal hydroxylase activity | 科纳根公司 | 2024-03-08 | — | — | CN | claimed |
| CN-114957011-B | Comprehensive utilization method of lactone byproduct resources | 安徽华业香料股份有限公司 | 2024-01-30 | — | — | CN | claimed |
| CN-115466234-B | Preparation method of gamma-heptanolide | 安徽华业香料股份有限公司 | 2024-01-30 | — | — | CN | claimed |
| CN-117090046-A | Composition for reducing malodor and use thereof | 阿吉莱克斯香料和香水公司 | 2023-11-21 | — | — | CN | claimed |
| CN-116754694-A | Method for determining ester compounds in tobacco or tobacco products | 国家烟草质量监督检验中心 | 2023-09-15 | — | — | CN | claimed |
| CN-116559303-A | Method for simulating mouth-by-mouth smoking process of heated cigarettes and application of method | 浙江中烟工业有限责任公司 | 2023-08-08 | — | — | CN | claimed |
| CN-116519819-A | Wheat storage year identification method based on volatile component analysis | 国家粮食和物资储备局科学研究院 | 2023-08-01 | — | — | CN | claimed |
| CN-111886266-B | Thermoplastic acrylic resin, process for producing the same, and resin composition | 株式会社钟化 | 2023-05-23 | — | — | CN | claimed |
| WO-2023056234-A1 | POLYHYDROXYALKANOATE COPOLYMERS PREPARED BY RING-OPENING POLYMERIZATION AND RELATED COMPOSITIONS AND ARTICLES | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2023-04-06 | — | — | WO | claimed |
| CN-113891750-A | Method for improving performance of spice or spice mixture | 西姆莱斯股份公司 | 2022-01-04 | — | — | CN | claimed |