⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL85 | 0.87 | — | — | |
| SCHEMBL1785790 | 0.87 | — | — | |
| SCHEMBL3522592 | 0.75 | — | — | |
| SCHEMBL5601209 | 0.75 | — | — | |
| Water SCHEMBL6900528 | 0.75 | — | — | |
| SCHEMBL7448413 | 0.75 | — | — | |
| SCHEMBL11372963 | 0.75 | — | — | |
| SCHEMBL3045261 | 0.75 | — | — | |
| Water SCHEMBL10417157 | 0.75 | — | — | |
| SCHEMBL7158973 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4139715-A | NICKEL ACETYLACETONATE, ALKYLALUMINUM CHLORIDE, 1,2-BISDIPHENYLPHOSPHINO ETHANE | SUN OIL COMPANY OF PENNSYLVANIA (US) | 1979-02-13 | — | — | US | disclosed |
| US-4139714-A | NICKEL ACETYLACETONATE, TRIPHENYLPHOSPHINE, ALKYLALUMINUM CHLORIDE | SUN OIL COMPANY OF PENNSYLVANIA (US) | 1979-02-13 | — | — | US | disclosed |