⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4074545 | 0.67 | — | — | |
| SCHEMBL743650 | 0.58 | — | — | |
| SCHEMBL8501185 | 0.58 | — | — | |
| SCHEMBL28751288 | 0.55 | — | — | |
| Fluoride SCHEMBL10657502 | 0.55 | — | — | |
| SCHEMBL10940023 | 0.51 | — | — | |
| SCHEMBL1296 | 0.51 | — | — | |
| SCHEMBL28095 | 0.51 | — | — | |
| SCHEMBL45125 | 0.51 | — | — | |
| SCHEMBL7240952 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001078869-A9 | A PROCESS FOR THE PURIFICATION OF ORGANOMETALLIC COMPOUNDS OR HETEROATOMIC ORGANIC COMPOUNDS WITH A PALLADIUM-BASED CATALYST | GETTERS SPA (IT) | 2002-07-18 | — | — | WO | claimed |