⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27955427 | 0.89 | — | — | |
| SCHEMBL28528611 | 0.69 | — | — | |
| SCHEMBL27794723 | 0.69 | — | — | |
| SCHEMBL27815895 | 0.62 | ALOX5 (0.33) | — | |
| SCHEMBL27368534 | 0.62 | — | — | |
| Propane SCHEMBL7681708 | 0.55 | — | — | |
| SCHEMBL10704304 | 0.54 | ACHE (0.40) | — | |
| Hexane SCHEMBL28202167 | 0.54 | — | — | |
| Pentane SCHEMBL27489916 | 0.54 | — | — | |
| Water SCHEMBL28941509 | 0.54 | LPL (0.59) | — |
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-108137729-B | Catalysts for forming multimodal polymers | 埃克森美孚化学专利公司 | 2021-02-05 | — | — | CN | disclosed |