⚠ 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 | |
|---|---|---|---|---|
| Acrolein SCHEMBL29438553 | 0.85 | — | — | |
| Acrolein SCHEMBL27256243 | 0.85 | ALDH1A1 (1.00) | — | |
| Acrolein SCHEMBL794083 | 0.85 | — | — | |
| Acrolein SCHEMBL2571 | 0.85 | — | — | |
| Acrolein SCHEMBL8140991 | 0.80 | — | — | |
| Acrolein SCHEMBL9767681 | 0.80 | — | — | |
| Acrolein SCHEMBL601518 | 0.80 | — | — | |
| Acrolein SCHEMBL7181993 | 0.80 | — | — | |
| Acrolein SCHEMBL22833885 | 0.80 | — | — | |
| Acrolein SCHEMBL1028796 | 0.80 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112094203-B | Preparation method of 1-cyano-2-propenyl acetate | 山东新和成氨基酸有限公司 | 2023-06-06 | — | — | CN | claimed |
| CN-112694417-B | Preparation method and device of 1-cyano-2-propenyl acetate | 山东新和成氨基酸有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-112094203-B | Preparation method of 1-cyano-2-propenyl acetate | 山东新和成氨基酸有限公司 | 2023-06-06 | — | — | CN | disclosed |
| US-6796312-B2 | CIGARETTE, PIPE, AND CIGAR FILTER OF SEPARATE ACIDIC AND BASIC ION EXCHANGE RESIN, BICARBONATE, METHYL CELLULOSE; MOISTURE | EICHEL BERTRAM (US) | 2004-09-28 | — | — | US | disclosed |
| US-20030140933-A1 | Process and apparatus for the removal of toxic components of tobacco smoke and the standardization of the health hazards related to those components | EICHEL BERTRAM (US) | 2003-07-31 | — | — | US | disclosed |
| CN-1090176-C | Purification of nitrile | MITSUBISHI CELANESE CO LTD (JP) | 2002-09-04 | — | — | CN | disclosed |
| CN-1173489-A | Purification of nitrile | NITTO CHEMICAL INDUSTRY CO LTD (JP) | 1998-02-18 | — | — | CN | disclosed |
| US-4599145-A | MULTISTAGE DISTILLATION | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1986-07-08 | — | — | US | disclosed |