⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23180 | 0.96 | — | — | |
| Water SCHEMBL27609756 | 0.93 | PAOX (0.33) | — | |
| SCHEMBL28142883 | 0.93 | — | — | |
| Water SCHEMBL27875682 | 0.93 | — | — | |
| SCHEMBL5574903 | 0.93 | — | — | |
| Water SCHEMBL27636271 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL15823629 | 0.71 | — | — | |
| SCHEMBL27641747 | 0.71 | — | — | |
| Propane SCHEMBL28249947 | 0.69 | — | — | |
| SCHEMBL27602818 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922527-A | The aluminium alkyl with pendency alkene for polyene hydrocarbon reaction | 埃克森美孚化学专利公司 | 2018-04-17 | — | — | CN | disclosed |