⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21967087 | 1.00 | — | — | |
| SCHEMBL5815237 | 0.79 | MEN1 (0.38) | — | |
| SCHEMBL9113984 | 0.79 | MEN1 (0.38) | — | |
| SCHEMBL21484051 | 0.78 | — | — | |
| SCHEMBL21967091 | 0.78 | — | — | |
| SCHEMBL21967106 | 0.77 | — | — | |
| SCHEMBL21967103 | 0.77 | — | — | |
| SCHEMBL21967116 | 0.77 | — | — | |
| SCHEMBL21967093 | 0.77 | — | — | |
| SCHEMBL29109084 | 0.77 | — | — |
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-110551009-B | Process for the preparation of (2E, 6Z) -2, 6-nonenal and (2E) -cis-6, 7-epoxy-2-nonenal | 信越化学工业株式会社 | 2023-10-20 | — | — | CN | disclosed |
| US-10662166-B2 | Process for preparing (2E,6Z)-2,6-nonadienal and a process for preparing (2E)-cis 6,7-epoxy-2-nonenal | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-05-26 | — | — | US | disclosed |
| CN-110551009-A | Process for the preparation of (2E,6Z) -2, 6-nonadienal and (2E) -cis-6, 7-epoxy-2-nonenal | SHINETSU CHEMICAL CO | 2019-12-10 | — | — | CN | disclosed |