⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8675722 | 0.79 | — | — | |
| SCHEMBL14390061 | 0.76 | — | — | |
| SCHEMBL12032228 | 0.75 | — | — | |
| SCHEMBL12032246 | 0.75 | — | — | |
| SCHEMBL10486682 | 0.74 | — | — | |
| SCHEMBL8676822 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL3197355 | 0.73 | — | — | |
| SCHEMBL822534 | 0.72 | — | — | |
| SCHEMBL820016 | 0.72 | — | — | |
| SCHEMBL723642 | 0.71 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3408251-B1 | EFFICIENT SYNTHESIS OF METHACROLEIN FROM METHANOL AND PROPIONALDEHYDE | EASTMAN CHEM CO (US) | 2023-06-07 | — | — | EP | disclosed |
| CN-108495835-B | Efficient synthesis of methacrolein and other alpha, beta-unsaturated aldehydes over renewable anatase titanium dioxide catalysts | 伊士曼化工公司 | 2022-04-01 | — | — | CN | disclosed |
| CN-108495837-B | Efficient synthesis of methacrolein and other α, β -unsaturated aldehydes from methanol and aldehydes | 伊士曼化工公司 | 2021-12-03 | — | — | CN | disclosed |
| EP-3408249-A1 | EFFICIENT SYNTHESIS OF METHACROELIN AND OTHER ALPHA, BETA-UNSATURATED ALDEHYDES OVER A REGENERABLE ANATASE TITANIA CATALYST | Eastman Chemical Company (US) | 2018-12-05 | — | — | EP | disclosed |
| EP-3408251-A1 | EFFICIENT SYNTHESIS OF METHACROELIN AND OTHER ALPHA, BETA-UNSATURATED ALDEHYDES FROM METHANOL AND AN ALDEHYDE | Eastman Chemical Company (US) | 2018-12-05 | — | — | EP | disclosed |
| US-9834501-B2 | Efficient synthesis of methacroelin and other alpha, beta—unsaturated aldehydes from methanol and an aldehyde | EASTMAN CHEMICAL COMPANY (US) | 2017-12-05 | — | — | US | disclosed |
| US-9828322-B2 | Efficient synthesis of methacroelin and other alpha, beta-unsaturated aldehydes over a regenerable anatase titania catalyst | EASTMAN CHEMICAL COMPANY (US) | 2017-11-28 | — | — | US | disclosed |
| US-20170217868-A1 | EFFICIENT SYNTHESIS OF METHACROELIN AND OTHER ALPHA, BETA - UNSATURATED ALDEHYDES FROM METHANOL AND AN ALDEHYDE | EASTMAN CHEMICAL COMPANY (US) | 2017-08-03 | — | — | US | disclosed |
| US-20170217867-A1 | EFFICIENT SYNTHESIS OF METHACROELIN AND OTHER ALPHA, BETA - UNSATURATED ALDEHYDES OVER A REGENERABLE ANATASE TITANIA CATALYST | EASTMAN CHEMICAL COMPANY (US) | 2017-08-03 | — | — | US | disclosed |
| WO-2017132189-A1 | EFFICIENT SYNTHESIS OF METHACROELIN AND OTHER ALPHA, BETA-UNSATURATED ALDEHYDES OVER A REGENERABLE ANATASE TITANIA CATALYST | EASTMAN CHEMICAL COMPANY (US) | 2017-08-03 | — | — | WO | disclosed |
| WO-2017132194-A1 | EFFICIENT SYNTHESIS OF METHACROELIN AND OTHER ALPHA, BETA-UNSATURATED ALDEHYDES FROM METHANOL AND AN ALDEHYDE | EASTMAN CHEMICAL COMPANY (US) | 2017-08-03 | — | — | WO | disclosed |
| EP-2172418-A1 | GAS MIXING DEVICE, AND SYNTHETIC GAS PRODUCING APPARATUS | JGC Corporation (JP) | 2010-04-07 | — | — | EP | disclosed |
| US-4317945-A | Process for preparing 2-methyl-2-sec.butyl-1,3-propanediol | RUHRCHEMIE AKTIENGESELLSCHAFT (DE) | 1982-03-02 | — | — | US | disclosed |