⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5423188 | 1.00 | — | — | |
| SCHEMBL16625504 | 0.83 | — | — | |
| SCHEMBL13093809 | 0.73 | — | — | |
| SCHEMBL11294178 | 0.73 | — | — | |
| SCHEMBL11294175 | 0.73 | — | — | |
| SCHEMBL4628842 | 0.70 | — | — | |
| SCHEMBL8256440 | 0.70 | — | — | |
| SCHEMBL13666492 | 0.70 | — | — | |
| SCHEMBL19708551 | 0.67 | — | — | |
| SCHEMBL5423195 | 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109991325-B | Food quality evaluation method based on metabonomics data fusion and artificial neural network and application thereof | 中国检验检疫科学研究院 | 2022-12-20 | — | — | CN | claimed |
| CN-109991325-A | The evaluation method and its application of food quality based on metabolism group data fusion and artificial neural network | 中国检验检疫科学研究院 | 2019-07-09 | — | — | CN | claimed |
| US-10052045-B2 | Method for testing oral malodor | COLGATE-PALMOLIVE COMPANY (US) | 2018-08-21 | — | — | US | claimed |
| CN-108014253-A | Composition in a kind of garlic and sesame and preparation method thereof and tumor-inhibiting anticancer application | 深圳市阿霍烯生物科技有限公司 | 2018-05-11 | — | — | CN | claimed |
| US-20150265183-A1 | METHOD FOR TESTING ORAL MALODOR | COLGATE-PALMOLIVE COMPANY | 2015-09-24 | — | — | US | claimed |
| WO-2014098895-A1 | METHOD FOR TESTING ORAL MALODOR | COLGATE-PALMOLIVE COMPANY (US) | 2014-06-26 | — | — | WO | claimed |
| US-20060078570-A1 | Use of asafetida extract as medicine for abstinence of drugs | WANG, YANDING (CN) | 2006-04-13 | — | — | US | claimed |
| CN-109991325-B | Food quality evaluation method based on metabonomics data fusion and artificial neural network and application thereof | 中国检验检疫科学研究院 | 2022-12-20 | — | — | CN | disclosed |
| CN-112067711-A | System and method for detecting acrimony of allium products by combining respiratory metabolic gas with simulated chewing gastric digestion | 沈阳农业大学 | 2020-12-11 | — | — | CN | disclosed |
| CN-111060620-A | Method for analyzing and detecting effective components in spices | 上海微谱化工技术服务有限公司 | 2020-04-24 | — | — | CN | disclosed |
| CN-109991325-A | The evaluation method and its application of food quality based on metabolism group data fusion and artificial neural network | 中国检验检疫科学研究院 | 2019-07-09 | — | — | CN | disclosed |
| US-10052045-B2 | Method for testing oral malodor | COLGATE-PALMOLIVE COMPANY (US) | 2018-08-21 | — | — | US | disclosed |
| CN-108014253-A | Composition in a kind of garlic and sesame and preparation method thereof and tumor-inhibiting anticancer application | 深圳市阿霍烯生物科技有限公司 | 2018-05-11 | — | — | CN | disclosed |
| US-20060078570-A1 | Use of asafetida extract as medicine for abstinence of drugs | WANG, YANDING (CN) | 2006-04-13 | — | — | US | disclosed |
| US-4609754-A | UNSATURATED ALCOHOL AND KETO ESTER | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1986-09-02 | — | — | US | disclosed |
| US-4560499-A | Isosolanone and solanone intermediates and organoleptic uses | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-12-24 | — | — | US | disclosed |
| US-4552770-A | FOODS, CHEWING GUM | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-11-12 | — | — | US | disclosed |
| US-4521613-A | ORGANOLEPTICS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-06-04 | — | — | US | disclosed |
| US-4476147-A | Flavoring of alliaceous-flavored foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-10-09 | — | — | US | disclosed |
| US-4433695-A | Process for the production of isosolanone and solanone, intermediates useful in said process and organoleptic uses of said intermediates | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-02-28 | — | — | US | disclosed |