⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14204857 | 1.00 | — | — | |
| Acetic Acid SCHEMBL11506752 | 0.89 | MEN1 (0.39) | — | |
| SCHEMBL27617145 | 0.85 | KMT2A (0.68) | — | |
| SCHEMBL7515150 | 0.78 | — | — | |
| SCHEMBL7515146 | 0.78 | — | — | |
| SCHEMBL11804103 | 0.78 | — | — | |
| SCHEMBL11824515 | 0.77 | — | — | |
| SCHEMBL11813507 | 0.77 | — | — | |
| SCHEMBL11813500 | 0.77 | — | — | |
| SCHEMBL2769371 | 0.75 | — | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114044790-B | Hexacarbon phosphonate, preparation method thereof and preparation method of vitamin A ester | 广州立达尔生物科技股份有限公司 | 2023-11-17 | — | — | CN | claimed |
| CN-114044790-A | Six-carbon phosphate and preparation method thereof, and preparation method of vitamin A esterified substance | 广州立达尔生物科技股份有限公司 | 2022-02-15 | — | — | CN | claimed |
| CN-101475471-B | Improved synthesizing method of 1-chlorine-2-methyl-4-hydrocarbon acyloxy-2-butene | ZHEJIANG MED XINCHANG PHARM | 2012-06-13 | — | — | CN | claimed |
| CN-101270048-B | Process for synthesizing 1-chlorine-2-methyl-4-acetoxy-2-butylene | ZHEJIANG MEDICINE CO LTD VITAMIN FACTORY | 2011-06-01 | — | — | CN | claimed |
| CN-101475471-A | Improved synthesizing method of 1-chlorine-2-methyl-4-hydrocarbon acyloxy-2-butene | ZHEJIANG MEDICINE CO LTD (CN) | 2009-07-08 | — | — | CN | claimed |
| CN-101270048-A | Process for synthesizing 1-chlorine-2-methyl-4-acetoxy-2-butylene | ZHEJIANG MEDICINE CO LTD (CN) | 2008-09-24 | — | — | CN | claimed |
| CN-100410230-C | Method for preparing 1-chloro-2-methyl-4-alkylacyloxy-2-butene | UNIV SHAOXING (CN) | 2008-08-13 | — | — | CN | claimed |
| US-7351854-B2 | Reacting isoprene with an N-chloroisocyanuric acid derivative and water to form 1-chloro-2-hydroxy-2-methyl-3-butylene and 1-chloro-4-hydroxy-2-methyl-2-butylene; esterification and rearrangement with an acid anhydride or an acyl halide | SHAOXING UNIVERSITY (CN) | 2008-04-01 | — | — | US | claimed |
| US-20070270607-A1 | Reacting isoprene with an N-chloroisocyanuric acid derivative and water to form 1-chloro-2-hydroxy-2-methyl-3-butylene and 1-chloro-4-hydroxy-2-methyl-2-butylene; esterification and rearrangement with an acid anhydride or an acyl halide | SHAOXING UNIVERSITY (CN) | 2007-11-22 | — | — | US | claimed |
| CN-1844077-A | Method for preparing 1-chloro-2-methyl-4-alkylacyloxy-2-butene | UNIV SHAOXING (CN) | 2006-10-11 | — | — | CN | claimed |
| CN-118684579-A | Method for preparing 2-methyl-4-acetoxyl-2-butenal by one-step method | 浙江芳原馨生物医药有限公司 | 2024-09-24 | — | — | CN | disclosed |
| CN-114835577-B | Aldehyde synthesis method | 安徽智新生化有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-114044790-B | Hexacarbon phosphonate, preparation method thereof and preparation method of vitamin A ester | 广州立达尔生物科技股份有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-114044790-B | Hexacarbon phosphonate, preparation method thereof and preparation method of vitamin A ester | 广州立达尔生物科技股份有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-111484409-B | Preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal | 新发药业有限公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-100410230-C | Method for preparing 1-chloro-2-methyl-4-alkylacyloxy-2-butene | UNIV SHAOXING (CN) | 2008-08-13 | — | — | CN | disclosed |
| US-7351854-B2 | Reacting isoprene with an N-chloroisocyanuric acid derivative and water to form 1-chloro-2-hydroxy-2-methyl-3-butylene and 1-chloro-4-hydroxy-2-methyl-2-butylene; esterification and rearrangement with an acid anhydride or an acyl halide | SHAOXING UNIVERSITY (CN) | 2008-04-01 | — | — | US | disclosed |
| US-20070270607-A1 | Reacting isoprene with an N-chloroisocyanuric acid derivative and water to form 1-chloro-2-hydroxy-2-methyl-3-butylene and 1-chloro-4-hydroxy-2-methyl-2-butylene; esterification and rearrangement with an acid anhydride or an acyl halide | SHAOXING UNIVERSITY (CN) | 2007-11-22 | — | — | US | disclosed |
| CN-101041619-A | Preparation method of 1-chlorin -2-methyl -4-acetoxy-2- butylene | ZHEJIANG MEDICINE CO LTD (CN) | 2007-09-26 | — | — | CN | disclosed |
| CN-1844077-A | Method for preparing 1-chloro-2-methyl-4-alkylacyloxy-2-butene | UNIV SHAOXING (CN) | 2006-10-11 | — | — | CN | disclosed |