⚠ 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 SCHEMBL27933068 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL27933125 | 0.96 | — | — | |
| Fluoride SCHEMBL27948734 | 0.72 | OXTR (0.33) | — | |
| SCHEMBL1387826 | 0.72 | GAA (0.36) | — | |
| Iodide SCHEMBL27948575 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6129922 | 0.72 | — | — | |
| Bromide SCHEMBL27933263 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL27933036 | 0.72 | — | — | |
| Fluoride SCHEMBL27932980 | 0.72 | — | — | |
| SCHEMBL11545311 | 0.71 | LMNA (0.33) | — |
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-103509060-A | Metallocene compound, catalyst composite containing metallocene compound and olefin polymerization method using metallocene compound | DAELIM IND CO LTD | 2014-01-15 | — | — | CN | disclosed |