⚠ 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 | |
|---|---|---|---|---|
| Butoxyethanol SCHEMBL7159090 | 0.97 | TSHR (0.90) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL27129 | 0.97 | TSHR (1.00) | — | |
| Butoxyethanol SCHEMBL15712 | 0.97 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL17352449 | 0.97 | TSHR (1.00) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL7172678 | 0.97 | TSHR (1.00) | — | |
| Butoxyethanol SCHEMBL6046906 | 0.97 | TSHR (1.00) | — | |
| Butoxyethanol SCHEMBL3929162 | 0.97 | TSHR (1.00) | — | |
| Butoxyethanol SCHEMBL8101108 | 0.97 | TSHR (1.00) | — | |
| SCHEMBL23794957 | 0.94 | TSHR (0.94) | — | |
| SCHEMBL8639434 | 0.94 | TSHR (0.94) | — |
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-20030153698-A1 | An organolithium compound, a group IIa metal salt selected from IIa metal salts of amino alkyl glycols or glycol alkylene ethers, and an organoaluminum compound containing less than 13 carbon atoms and organomagnesium compounds | GOODYEAR TIRE & RUBBER COMPANY, THE | 2003-08-14 | — | — | US | disclosed |
| EP-1285932-A2 | Group 2 metal containing catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2003-02-26 | — | — | EP | disclosed |