⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4460953 | 0.79 | KDM4E (0.36) | — | |
| SCHEMBL2437887 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL3630820 | 0.75 | KDM4E (0.46) | — | |
| SCHEMBL8402344 | 0.71 | — | — | |
| SCHEMBL94908 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL6063006 | 0.62 | THRB (0.30) | — | |
| SCHEMBL9720867 | 0.62 | KDM4E (0.39) | — | |
| SCHEMBL190252 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL7097592 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL6267036 | 0.62 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4397763-A | TITANIUM-BASED | PHILLIPS PETROLEUM COMPANY (US) | 1983-08-09 | — | — | US | claimed |
| US-4330648-A | MIXTURE OF TITANIUM HALIDE, MAGNESIUM OR MANGANOUS CHLORIDE DIHYDROCARBYLALUMINUM HALIDE OR HYDRIDE AND AN ETHER-ALCOHOL | PHILLIPS PETROLEUM COMPANY (US) | 1982-05-18 | — | — | US | claimed |
| US-4312784-A | TITANIUM HALIDE, LEWIS BASE, MAGNESIUM OR MANGANOUS CHLORIDE, UNSATURATED HYDROCARBON AND TRIHYDROCARBYLALUMNIUM | PHILLIPS PETROLEUM CO. (US) | 1982-01-26 | — | — | US | claimed |
| US-4242480-A | TWO OR THREE COMPONENT SYSTEM COMPRISING A TITANIUM HALIDE, LEWIS BASE, MAGNESIUM OR MANGANESE CHLORIDE, UNSATURATED HYDROCARBON, ORGANOALUMINUM COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1980-12-30 | — | — | US | claimed |
| US-4397763-A | TITANIUM-BASED | PHILLIPS PETROLEUM COMPANY (US) | 1983-08-09 | — | — | US | disclosed |
| US-4330648-A | MIXTURE OF TITANIUM HALIDE, MAGNESIUM OR MANGANOUS CHLORIDE DIHYDROCARBYLALUMINUM HALIDE OR HYDRIDE AND AN ETHER-ALCOHOL | PHILLIPS PETROLEUM COMPANY (US) | 1982-05-18 | — | — | US | disclosed |
| US-4312784-A | TITANIUM HALIDE, LEWIS BASE, MAGNESIUM OR MANGANOUS CHLORIDE, UNSATURATED HYDROCARBON AND TRIHYDROCARBYLALUMNIUM | PHILLIPS PETROLEUM CO. (US) | 1982-01-26 | — | — | US | disclosed |
| US-4242480-A | TWO OR THREE COMPONENT SYSTEM COMPRISING A TITANIUM HALIDE, LEWIS BASE, MAGNESIUM OR MANGANESE CHLORIDE, UNSATURATED HYDROCARBON, ORGANOALUMINUM COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1980-12-30 | — | — | US | disclosed |
| EP-0002521-A1 | Titanium-magnesium/manganese-aluminum catalyst and process for olefin polymerization | PHILLIPS PETROLEUM COMPANY (US) | 1979-06-27 | — | — | EP | disclosed |