⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4864674 | 0.67 | — | — | |
| SCHEMBL27977434 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL20586 | 0.64 | — | — | |
| SCHEMBL538652 | 0.64 | — | — | |
| SCHEMBL9209877 | 0.64 | — | — | |
| Lithium SCHEMBL38661665 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL2052307 | 0.61 | — | — | |
| Water SCHEMBL8449693 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL15233791 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL2883129 | 0.60 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0306861-B1 | STABILISATION OF CHLOROFLUOROALKANES | Kali-Chemie Aktiengesellschaft (DE) | 1992-12-30 | — | — | EP | claimed |
| US-4883913-A | BUT-3-EN-1-OL COMPOUNDS, MIXTURES OF CATALYSTS AND BLOWING AGENTS FOR POLYURETHANES | KALI-CHEMIE AKTIENGESELLSCHAFT (DE) | 1989-11-28 | — | — | US | claimed |
| EP-0306861-A2 | Stabilisation of chlorofluoroalkanes | Kali-Chemie Aktiengesellschaft (DE) | 1989-03-15 | — | — | EP | claimed |
| EP-0306861-B1 | STABILISATION OF CHLOROFLUOROALKANES | Kali-Chemie Aktiengesellschaft (DE) | 1992-12-30 | — | — | EP | disclosed |
| EP-0503441-A1 | Stabilization of dichlorotrifluoroethane | Solvay Fluor und Derivate GmbH (DE) | 1992-09-16 | — | — | EP | disclosed |
| US-4883913-A | BUT-3-EN-1-OL COMPOUNDS, MIXTURES OF CATALYSTS AND BLOWING AGENTS FOR POLYURETHANES | KALI-CHEMIE AKTIENGESELLSCHAFT (DE) | 1989-11-28 | — | — | US | disclosed |
| EP-0306861-A2 | Stabilisation of chlorofluoroalkanes | Kali-Chemie Aktiengesellschaft (DE) | 1989-03-15 | — | — | EP | disclosed |
| US-4463189-A | ADDING 2,4-DIPHENYL-4-METHYL-2-PENTENE AND 2,4-DIPHENYL-4-METHYL-1-PENTENE | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-07-31 | — | — | US | disclosed |
| EP-0076471-A2 | Stabilisation of polyether or polyester moulding compounds against premature reaction | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-04-13 | — | — | EP | disclosed |