⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19282937 | 1.00 | — | — | |
| SCHEMBL19282902 | 0.83 | — | — | |
| SCHEMBL17633890 | 0.80 | NR5A1 (0.31) | — | |
| SCHEMBL19282972 | 0.80 | NR5A1 (0.31) | — | |
| SCHEMBL17633716 | 0.79 | NR5A1 (0.33) | — | |
| SCHEMBL17633892 | 0.75 | — | — | |
| SCHEMBL17633889 | 0.75 | — | — | |
| SCHEMBL8588849 | 0.66 | — | — | |
| SCHEMBL5460159 | 0.66 | — | — | |
| SCHEMBL19282924 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11028256-B2 | Silica-containing rubber compositions containing specified coupling agents and related methods | BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) | 2021-06-08 | — | — | US | disclosed |
| US-20200123349-A1 | SILICA-CONTAINING RUBBER COMPOSITIONS CONTAINING SPECIFIED COUPLING AGENTS AND RELATED METHODS | BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) | 2020-04-23 | — | — | US | disclosed |
| US-20170247532-A1 | SILICA-CONTAINING RUBBER COMPOSITIONS CONTAINING SPECIFIED COUPLING AGENTS AND RELATED METHODS | BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC | 2017-08-31 | — | — | US | disclosed |