⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14635609 | 0.67 | — | — | |
| SCHEMBL28475193 | 0.67 | — | — | |
| SCHEMBL14635960 | 0.67 | — | — | |
| SCHEMBL20425156 | 0.67 | — | — | |
| SCHEMBL2002513 | 0.67 | — | — | |
| SCHEMBL14635932 | 0.63 | — | — | |
| SCHEMBL28485473 | 0.62 | — | — | |
| SCHEMBL14635830 | 0.62 | — | — | |
| SCHEMBL8695544 | 0.62 | — | — | |
| SCHEMBL2541072 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110818523-B | Process for preparing 5-en-1-ynes and compounds derived therefrom | 信越化学工业株式会社 | 2023-05-02 | — | — | CN | disclosed |
| CN-110818523-A | Process for preparing 5-en-1-ynes and their derivatives and 1, 1-dialkoxy-6-nonene-2-ynes | 信越化学工业株式会社 | 2020-02-21 | — | — | CN | disclosed |