⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL8561240 | 0.95 | ALDH1A1 (0.41) | — | |
| SCHEMBL7779358 | 0.92 | — | — | |
| SCHEMBL9355012 | 0.90 | PAOX (0.50) | — | |
| SCHEMBL10370310 | 0.90 | PAOX (0.50) | — | |
| SCHEMBL17260760 | 0.90 | PAOX (0.50) | — | |
| Water SCHEMBL17727821 | 0.83 | — | — | |
| SCHEMBL304991 | 0.83 | — | — | |
| SCHEMBL9551989 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL17333685 | 0.81 | KDM4E (0.46) | — | |
| SCHEMBL11407276 | 0.81 | CHRM1 (0.50) | — |
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 466 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116178186-B | Preparation process of 3-amino-2-cyclohexene-1-one | 联化科技(临海)有限公司 | 2025-06-17 | — | — | CN | claimed |
| CN-118792220-A | Lactobacillus curvatus and application thereof in food | 西南大学 | 2024-10-18 | — | — | CN | claimed |
| CN-118771996-A | Method for efficiently preparing 3-amino-2-cyclohexene-1-one | 联化科技股份有限公司 | 2024-10-15 | — | — | CN | claimed |
| CN-116332744-B | Preparation method of 5-oxo-caproic acid | 湖北旭捷新材料科技有限公司 | 2023-12-12 | — | — | CN | claimed |
| CN-116332744-A | Preparation method of 5-oxo-caproic acid | 湖北旭捷新材料科技有限公司 | 2023-06-27 | — | — | CN | claimed |
| CN-116178186-A | Preparation process of 3-amino-2-cyclohexene-1-one | 联化科技(临海)有限公司 | 2023-05-30 | — | — | CN | claimed |
| CN-113960235-A | Application and method of biomarker in preparation of lung cancer detection reagent | 中山大学肿瘤防治中心（中山大学附属肿瘤医院、中山大学肿瘤研究所） | 2022-01-21 | — | — | CN | claimed |
| EP-0437290-B1 | Process for the preparation of 5-oxohexane nitriles and the compound 2,4-dimethyl-5-oxohexane nitrile | DSM NV (NL) | 1998-05-06 | — | — | EP | claimed |
| US-5334721-A | Reacting a methyl ketone and an alpha,beta-unsaturated nitrile in the presence of a basic catalyst; preparation of a 2-methyl-3,5-dialkylpyridine; cyclization; dehydrogenation | STAMICARBON B.V. (NL) | 1994-08-02 | — | — | US | claimed |
| EP-0506068-A1 | Oxidation of terminal olefins to aldehydes | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-09-30 | — | — | EP | claimed |
| EP-0078956-A1 | Process for making 5-oxohexane nitrile | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-05-18 | — | — | EP | claimed |
| EP-0062305-A1 | Process for the preparation of 5-oxohexanoic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-10-13 | — | — | EP | claimed |
| EP-0054166-A1 | Process for the preparation of 5-oxohexanoic acid alkyl esters and of 5-oxohexane nitrile | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-06-23 | — | — | EP | claimed |
| US-4331549-A | Hydraulic fluids containing cyano derivatives of ketones | THE DOW CHEMICAL COMPANY (US) | 1982-05-25 | — | — | US | claimed |
| US-4294968-A | CATALYTIC DEHYDROGENATION USING PALLADIUM ON A CARBON CATALYST SUPPORT | THE DOW CHEMICAL COMPANY (US) | 1981-10-13 | — | — | US | claimed |
| EP-0002942-B1 | PROCESS FOR PRODUCING 3-AMINO-2-CYCLOHEXENONE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1981-08-12 | — | — | EP | claimed |
| US-4276419-A | Process for the preparation of C-substituted pyridines and/or hydrogenated C-substituted pyridines, C-substituted quinolines and/or hydrogenated quinolines | STAMICARBON, B.V. (NL) | 1981-06-30 | — | — | US | claimed |
| EP-0003738-A1 | Process for producing cyclohexane-1,3-diones or 3-alkoxy-2-cyclohexenones | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1979-09-05 | — | — | EP | claimed |
| EP-0002942-A1 | Process for producing 3-amino-2-cyclohexenone | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1979-07-11 | — | — | EP | claimed |
| US-3931278-A | FROM ACETONE AND ACRYLONITRILE, WATER | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-01-06 | — | — | US | claimed |