⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3774781 | 0.79 | MEN1 (0.37) | — | |
| SCHEMBL20537141 | 0.79 | — | — | |
| SCHEMBL13038619 | 0.79 | — | — | |
| SCHEMBL20536979 | 0.79 | — | — | |
| SCHEMBL1200516 | 0.78 | MEN1 (0.44) | — | |
| SCHEMBL21967091 | 0.76 | — | — | |
| SCHEMBL21967084 | 0.76 | — | — | |
| SCHEMBL21967088 | 0.76 | — | — | |
| SCHEMBL21967100 | 0.76 | — | — | |
| SCHEMBL21967109 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108727165-B | Process for producing 2, 4-dienal aldehyde compound and 2, 4-dienal compound | 信越化学工业株式会社 | 2021-11-12 | — | — | CN | disclosed |
| CN-113443971-A | Method for producing alkynylalkoxymethyl ether compound and method for producing conjugated diene compound therefrom | 信越化学工业株式会社 | 2021-09-28 | — | — | CN | disclosed |
| EP-3392230-A1 | METHOD FOR PRODUCING 2,4-DIENAL ACETAL COMPOUND AND 2,4-DIENAL COMPOUND | Shin-Etsu Chemical Co., Ltd. (JP) | 2018-10-24 | — | — | EP | disclosed |