⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11787889 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL8915277 | 0.69 | — | — | |
| SCHEMBL14018550 | 0.68 | — | — | |
| SCHEMBL9168802 | 0.67 | — | — | |
| SCHEMBL16622792 | 0.67 | — | — | |
| SCHEMBL11142356 | 0.65 | — | — | |
| SCHEMBL16640738 | 0.65 | — | — | |
| SCHEMBL1548339 | 0.62 | — | — | |
| SCHEMBL129187 | 0.62 | — | — | |
| SCHEMBL1564028 | 0.62 | — | — |
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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102924276-A | Preparation method and intermediate hemiacetal of 2-methyl-2-acetoxy-3-butenyl-1-aldehyde | ZHEJIANG MED XINCHANG PHARM | 2013-02-13 | — | — | CN | claimed |
| US-3940445-A | Production of 2-methyl-4-halobut-2-en-1-als | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1976-02-24 | — | — | US | claimed |
| CN-116082154-A | Method for preparing 4-halogeno-2-methyl-2-butenoate by one-pot method | 万华化学集团股份有限公司 | 2023-05-09 | — | — | 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-115304482-A | Preparation method of 4-chloro-2-methyl-ethyl crotonate | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-110734374-B | Preparation method of high-yield 2-methyl-4-acetoxyl-2-butenal | 新发药业有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-110655533-B | Preparation method of 4- (diethoxy-phosphoryl) -2-methyl-butyl-2-olefine acid ester | 上虞新和成生物化工有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-110734376-B | Preparation method of 2-methyl-4-acetoxyl-2-butenal | 新发药业有限公司 | 2022-04-01 | — | — | CN | disclosed |
| CN-111484409-A | Low-cost preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal | 新发药业有限公司 | 2020-08-04 | — | — | CN | disclosed |
| CN-107108482-B | Chemical blowing agent and thermally expandable thermoplastic composition | SIKA技术股份公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-110734376-A | Preparation method of 2-methyl-4-acetoxyl-2-butenal | 新发药业有限公司 | 2020-01-31 | — | — | CN | disclosed |
| US-4163103-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1979-07-31 | — | — | US | disclosed |
| US-4124619-A | Preparation of esters of hydroxy tiglic aldehyde | HOFFMANN-LA ROCHE INC. (US) | 1978-11-07 | — | — | US | disclosed |
| US-4116975-A | 9-THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENES, ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4107190-A | ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1978-08-15 | — | — | US | disclosed |
| US-4105681-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4061656-A | ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4054589-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-10-18 | — | — | US | disclosed |
| US-3984440-A | FOR NEOPLASIAS, DERMATOSES, INFLAMMATION AND ALLERGIES | HOFFMANN-LA ROCHE INC. (US) | 1976-10-05 | — | — | US | disclosed |
| US-3940445-A | Production of 2-methyl-4-halobut-2-en-1-als | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1976-02-24 | — | — | US | disclosed |