⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4385947 | 0.96 | TSHR (0.31) | — | |
| Lithium Ion SCHEMBL9561329 | 0.89 | ALDH1A1 (0.30) | — | |
| Methyl Alcohol SCHEMBL28412835 | 0.89 | TSHR (0.35) | — | |
| SCHEMBL728051 | 0.72 | — | — | |
| SCHEMBL29035941 | 0.69 | — | — | |
| SCHEMBL1901191 | 0.69 | — | — | |
| SCHEMBL11489265 | 0.69 | — | — | |
| SCHEMBL3819026 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL15141 | 0.67 | TSHR (0.33) | — | |
| Methyl Alcohol SCHEMBL28674412 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0254277-B1 | OLIGOMERIZATION CATALYST AND OLIGOMERIZATION PROCESS | UNION CARBIDE CORPORATION (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4822915-A | METAL COMPLEXES AS POLYMERIZATION CATALYST FOR THE OLIGOMERIZATION OF ETHYLENE; CATALYST SELECTIVITY | UNION CARBIDE CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |
| EP-0254277-A2 | Oligomerization catalyst and oligomerization process | UNION CARBIDE CORPORATION (US) | 1988-01-27 | — | — | EP | disclosed |
| US-4716138-A | REACTION PRODUCT OF TRANSITION METAL COMPOUND AND ORGANOPHOSPHORUS SULFONATE | UNION CARBIDE CORPORATION (US) | 1987-12-29 | — | — | US | disclosed |
| US-4689437-A | ETHYLENE OR ETHYLENE-PROPYLENE, CATALYST FROM TRANSITION METAL COMPOUND, ACTIVATOR, ORGANOPHOSPHORUS SULFONATE LIGAND | UNION CARBIDE CORPORATION (US) | 1987-08-25 | — | — | US | disclosed |