⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL81440 | 0.92 | — | — | |
| SCHEMBL30134448 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL617254 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL19469145 | 0.88 | — | — | |
| Bromide SCHEMBL7878719 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL7777141 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7777096 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7777808 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7777062 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7772751 | 0.84 | — | — |
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-0294942-B2 | Solid catalyst for polymerizing an olefin | MITSUI CHEMICALS INC (JP) | 2002-05-08 | — | — | EP | disclosed |
| EP-0294942-B1 | Solid catalyst for polymerizing an olefin | MITSUI PETROCHEMICAL IND (JP) | 1994-07-13 | — | — | EP | disclosed |
| US-5126301-A | Organometallic compound, aluminoxane, group 4 metal compound, and olefin polymer | MITSUI PETROCHEMICAL INDUSTRIES, INC. (JP) | 1992-06-30 | — | — | US | disclosed |
| EP-0294942-A1 | Solid catalyst for polymerizing an olefin | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1988-12-14 | — | — | EP | disclosed |