⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8367799 | 1.00 | — | — | |
| Iodide SCHEMBL7454669 | 0.97 | GABRR1 (0.33) | — | |
| SCHEMBL8651771 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL8651775 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL3931614 | 0.80 | TSHR (0.32) | — | |
| Iodide SCHEMBL31485830 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL1601597 | 0.76 | — | — | |
| SCHEMBL9191867 | 0.76 | LMNA (0.30) | — | |
| Acetic Acid SCHEMBL5083333 | 0.70 | FFAR3 (0.33) | — | |
| Acetic Acid SCHEMBL27688474 | 0.70 | FFAR3 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999047979-A1 | DEVELOPER AND PROCESS FOR PREPARING FLEXOGRAPHIC PRINTING FORMS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-09-23 | — | — | WO | disclosed |
| US-4258160-A | BY USE OF A CATALYST COMPRISING A COBALT-CONTAINING COMPONENT, AN ALKYL ALUMINUM COMPONENT, AND CARBONYL SULFIDE | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1981-03-24 | — | — | US | disclosed |
| US-4248988-A | CATALYST SYSTEM COMPRISING COBALT OR NICKEL COMPONENT, HYDROCARBYL ALUMINUM, AND HALOGENATED HYDROCARBON | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1981-02-03 | — | — | US | disclosed |
| US-4198496-A | COBALT COMPONENT, MAGNESIUM OR MANGANESE CHLORIDE, IODIDE OR CARBOXYLIC ACID SATL, ORGANOALUMINUM HALIDE AS CATALYST | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1980-04-15 | — | — | US | disclosed |
| US-3993856-A | CATALYST OF COBALT COMPOUND, HYDRO- OR HYDROCARBYLALUMINUM DIHALIDE, AND CARBON DISULFIDE | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1976-11-23 | — | — | US | disclosed |