⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1686506 | 0.89 | — | — | |
| Bromide SCHEMBL1686743 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL6535515 | 0.89 | — | — | |
| SCHEMBL126446 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL124842 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL8569470 | 0.84 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL28425352 | 0.84 | — | — | |
| SCHEMBL8153353 | 0.84 | — | — | |
| SCHEMBL6915228 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11205611 | 0.80 | — | — |
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-119462778-A | Metallocene compound, preparation method, metallocene catalyst and application thereof | 万华化学集团股份有限公司 | 2025-02-18 | — | — | CN | claimed |