⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11795098 | 0.82 | — | — | |
| SCHEMBL11802740 | 0.78 | — | — | |
| SCHEMBL31281273 | 0.75 | — | — | |
| SCHEMBL31281423 | 0.72 | CYP3A4 (0.37) | — | |
| SCHEMBL9602172 | 0.72 | — | — | |
| SCHEMBL11775908 | 0.72 | — | — | |
| SCHEMBL11545324 | 0.72 | — | — | |
| SCHEMBL7260325 | 0.71 | — | — | |
| SCHEMBL14221890 | 0.71 | — | — | |
| SCHEMBL28780388 | 0.71 | — | — |
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-20240209185-A1 | SILANE COUPLING AGENT CONTAINING A SULFOXIDE FUNCTIONALITY | THE GOODYEAR TIRE & RUBBER COMPANY | 2024-06-27 | — | — | US | disclosed |
| US-20240209183-A1 | SULFOXIDE-CONTAINING COMPOUNDS AS CROSSLINKING AGENTS | THE GOODYEAR TIRE & RUBBER COMPANY | 2024-06-27 | — | — | US | disclosed |
| US-3941786-A | Process for the production of 4-hydroxy-6-hydroxymethylpyrimidine | LONZA LTD. (CH) | 1976-03-02 | — | — | US | disclosed |