⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL218004 | 1.00 | — | — | |
| SCHEMBL216304 | 0.89 | — | — | |
| Benzene SCHEMBL30336586 | 0.80 | — | — | |
| SCHEMBL686609 | 0.80 | — | — | |
| SCHEMBL216738 | 0.77 | — | — | |
| SCHEMBL30808822 | 0.77 | — | — | |
| SCHEMBL5274507 | 0.76 | — | — | |
| Aniline SCHEMBL2045038 | 0.76 | — | — | |
| SCHEMBL27657392 | 0.74 | — | — | |
| SCHEMBL28376275 | 0.74 | CYP3A4 (0.46) | — |
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-114555543-B | Process for preparing poly-alpha-olefins and apparatus therefor | 埃克森美孚化学专利公司 | 2024-07-12 | — | — | CN | disclosed |