⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867 | 0.93 | — | — | |
| SCHEMBL27326564 | 0.86 | — | — | |
| SCHEMBL20136113 | 0.86 | — | — | |
| SCHEMBL27420135 | 0.86 | — | — | |
| Water SCHEMBL27550630 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL10771823 | 0.80 | — | — | |
| SCHEMBL27401592 | 0.76 | — | — | |
| Trimethylammonium SCHEMBL27648997 | 0.76 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL28495264 | 0.72 | — | — | |
| Methoxymethane SCHEMBL30388376 | 0.68 | — | — |
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-1169736-A | Catalyst for olefin polymerization | ASAHI CHEMICAL IND (JP) | 1998-01-07 | — | — | CN | disclosed |