⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL709450 | 0.85 | ALDH1A1 (0.42) | — | |
| SCHEMBL14991399 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL4441378 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL630157 | 0.79 | — | — | |
| SCHEMBL28617455 | 0.79 | — | — | |
| SCHEMBL1685700 | 0.79 | TSHR (0.64) | — | |
| SCHEMBL7553181 | 0.77 | TDP1 (0.39) | — | |
| SCHEMBL7262925 | 0.77 | ALOX15 (0.52) | — | |
| SCHEMBL18523373 | 0.77 | TDP1 (0.39) | — | |
| SCHEMBL7553185 | 0.77 | TDP1 (0.39) | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4035408-A | Process for hydroformylation of allyl acetate or 1-propenyl acetate | GENERAL ELECTRIC COMPANY (US) | 1977-07-12 | — | — | US | claimed |
| US-4016201-A | Process for the preparation of acetoxybutanols | BAYER AKTIENGESELLSCHAFT (DT) | 1977-04-05 | — | — | US | claimed |
| US-3943166-A | Separation of an isomeric mixture of acetoxy-aldehydes by catalytic decomposition of an aldehyde to acetic acid and methacrolein | GENERAL ELECTRIC COMPANY (US) | 1976-03-09 | — | — | US | claimed |
| US-3941851-A | 1,4-Butanediol from hydrogenated hydroformylated allyl acetate | GENERAL ELECTRIC COMPANY (US) | 1976-03-02 | — | — | US | claimed |
| CN-114605261-B | Preparation method of 4-acetoxyl butyraldehyde | 万华化学集团股份有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-114920643-A | Method for preparing 4-acetoxy butyraldehyde from allyl acetate | 华东师范大学 | 2022-08-19 | — | — | CN | disclosed |
| CN-114605261-A | Preparation method of 4-acetoxybutyraldehyde | 万华化学集团股份有限公司 | 2022-06-10 | — | — | CN | disclosed |
| US-8124805-B2 | Allyl acetate hydroformylation process | LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) | 2012-02-28 | — | — | US | disclosed |
| US-20110124904-A1 | Allyl acetate hydroformylation process | LYONDELL CHEMICAL TECHNOLOGY, L.P. | 2011-05-26 | — | — | US | disclosed |
| US-7390847-B2 | Polymer derivatives for the treatment of metals | BASF SE (DE) | 2008-06-24 | — | — | US | disclosed |
| US-20050209117-A1 | Complexing agent for treating metallic and plastic surfaces | BASF AKTIENGESELLSCHAFT (DE) | 2005-09-22 | — | — | US | disclosed |
| US-20050126427-A1 | Polymer derivatives for treating metals | BASF AKTIENGESELLSCHAFT (DE) | 2005-06-16 | — | — | US | disclosed |
| US-3981931-A | Diols by transesterification using magnesia catalysts | GENERAL ELECTRIC COMPANY (US) | 1976-09-21 | — | — | US | disclosed |
| US-3980670-A | Manufacture of methacrylic acid and butyrolactone | BASF AKTIENGESELLSCHAFT (DT) | 1976-09-14 | — | — | US | disclosed |
| US-3965152-A | Process for preparing allylic esters of carboxylic acids | GENERAL ELECTRIC COMPANY (US) | 1976-06-22 | — | — | US | disclosed |
| US-3965154-A | Process for preparing allylic esters of carboxylate acids and allylic alcohols | GENERAL ELECTRIC COMPANY (US) | 1976-06-22 | — | — | US | disclosed |
| US-3965153-A | Process for preparing allylic esters of carboxylic acids and allylic alcohols | GENERAL ELECTRIC COMPANY (US) | 1976-06-22 | — | — | US | disclosed |
| US-3943166-A | Separation of an isomeric mixture of acetoxy-aldehydes by catalytic decomposition of an aldehyde to acetic acid and methacrolein | GENERAL ELECTRIC COMPANY (US) | 1976-03-09 | — | — | US | disclosed |
| US-3943166-A | Separation of an isomeric mixture of acetoxy-aldehydes by catalytic decomposition of an aldehyde to acetic acid and methacrolein | GENERAL ELECTRIC COMPANY (US) | 1976-03-09 | — | — | US | disclosed |
| US-3941851-A | 1,4-Butanediol from hydrogenated hydroformylated allyl acetate | GENERAL ELECTRIC COMPANY (US) | 1976-03-02 | — | — | US | disclosed |