⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL727856 | 0.95 | — | — | |
| SCHEMBL1187856 | 0.90 | — | — | |
| Butane SCHEMBL9859725 | 0.86 | — | — | |
| SCHEMBL2013477 | 0.64 | — | — | |
| SCHEMBL1961580 | 0.63 | — | — | |
| Ether SCHEMBL5027036 | 0.63 | — | — | |
| Ether SCHEMBL668696 | 0.63 | — | — | |
| Ether SCHEMBL30578015 | 0.63 | — | — | |
| SCHEMBL6156655 | 0.60 | — | — | |
| Butane SCHEMBL9094693 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957437-B1 | PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS | KAO CORP (JP) | 2017-05-03 | — | — | EP | disclosed |
| US-7732644-B2 | Process for producing α,β-unsaturated aldehyde compounds | KAO CORPORATION (JP) | 2010-06-08 | — | — | US | disclosed |
| US-20090171124-A1 | PROCESS FOR PRODUCING ALPHA, BETA-UNSATURATED ALDEHYDE COMPOUNDS | KAO CORPORATION (JP) | 2009-07-02 | — | — | US | disclosed |