⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7638068 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL153665 | 0.80 | — | — | |
| SCHEMBL148729 | 0.80 | — | — | |
| Fluoride Ion SCHEMBL1538864 | 0.80 | — | — | |
| Bromide SCHEMBL1539059 | 0.80 | — | — | |
| Iodide SCHEMBL8155403 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28430053 | 0.75 | — | — | |
| SCHEMBL29691658 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL2855378 | 0.72 | — | — | |
| SCHEMBL29201817 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0314797-B1 | OLEFIN POLYMERIZATION CATALYST AND PROCESS FOR POLYMERIZING OLEFIN | MITSUI PETROCHEMICAL IND (JP) | 1997-07-02 | — | — | EP | disclosed |
| US-5206199-A | Transition metal compound, aluminoxane, organoaluminum compound narrow weight distribution, high bulk density | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1993-04-27 | — | — | US | disclosed |
| US-5122491-A | Coordination catalysts; synergistic effect of aluminoxane and organoaluminum compound | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1992-06-16 | — | — | US | disclosed |
| EP-0314797-A1 | OLEFIN POLYMERIZATION CATALYST AND PROCESS FOR POLYMERIZING OLEFIN | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1989-05-10 | — | — | EP | disclosed |