⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL3080739 | 0.95 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL8322448 | 0.95 | ALDH1A1 (1.00) | — | |
| Acetic Acid Methyl Ester SCHEMBL28296965 | 0.95 | ALDH1A1 (1.00) | — | |
| Acetic Acid Methyl Ester SCHEMBL3650 | 0.95 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL23092253 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL2992111 | 0.91 | ALDH1A1 (0.91) | — | |
| Acetic Acid Methyl Ester SCHEMBL11460432 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL6749899 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL21591845 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL147887 | 0.91 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102941113-B | Catalyst for synthesizing methyl acrylate by using methyl acetate and methylal and preparation method thereof | SOUTHWEST CHEMICAL RES & DESIGN INST CO LTD | 2014-12-10 | — | — | CN | claimed |
| CN-110302733-B | Preparation method of double-halogen nitrogen-containing heterocyclic compound | 北京六合宁远科技有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-103143375-B | Preparation method of supported phosphorus-vanadium catalyst and method for synthesizing methyl acrylate by use of supported phosphorus-vanadium catalyst | UNIV QIQIHAR | 2014-12-31 | — | — | CN | disclosed |
| CN-102941113-B | Catalyst for synthesizing methyl acrylate by using methyl acetate and methylal and preparation method thereof | SOUTHWEST CHEMICAL RES & DESIGN INST CO LTD | 2014-12-10 | — | — | CN | disclosed |
| CN-103143375-A | Preparation method of supported phosphorus-vanadium catalyst and method for synthesizing methyl acrylate by use of supported phosphorus-vanadium catalyst | UNIV QIQIHAR | 2013-06-12 | — | — | CN | disclosed |
| CN-102941113-A | Catalyst for synthesizing methyl acrylate by using methyl acetate and methylal and preparation method thereof | SOUTHWEST CHEMICAL RES & DESIGN INST CO LTD | 2013-02-27 | — | — | CN | disclosed |