⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16063 | 0.76 | — | — | |
| SCHEMBL27725924 | 0.76 | — | — | |
| SCHEMBL8810584 | 0.76 | — | — | |
| SCHEMBL8835058 | 0.76 | — | — | |
| SCHEMBL29380 | 0.75 | — | — | |
| SCHEMBL10049674 | 0.73 | — | — | |
| SCHEMBL678638 | 0.73 | — | — | |
| SCHEMBL3093868 | 0.73 | — | — | |
| SCHEMBL28066244 | 0.72 | — | — | |
| SCHEMBL833011 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-53090249-A | — | — | None | — | — | JP | disclosed |
| CN-108495835-A | efficient synthesis of methacrolein and other α, beta-unsaturated aldehydes over renewable anatase titanium dioxide catalysts | 伊士曼化工公司 | 2018-09-04 | — | — | CN | disclosed |
| CN-108495837-A | It is effectively synthesized methacrolein and other α, beta-unsaturated aldehyde by first alcohols and aldehydes | 伊士曼化工公司 | 2018-09-04 | — | — | CN | disclosed |
| JP-S5390249-A | CYCLOPROPANECARBOXYLIC ACID ESTERS, PROCESS FOR THEIR PREAPARATION AND INSECTICIDES AND MITICIDES CONTG. THE SAME | SUMITOMO CHEM CO LTD | 1978-08-08 | — | — | JP | disclosed |