⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269900 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL1709308 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL12074463 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL8463210 | 0.80 | — | — | |
| SCHEMBL8462935 | 0.75 | — | — | |
| SCHEMBL8461355 | 0.75 | MMP1 (0.30) | — | |
| SCHEMBL1397144 | 0.74 | CA1 (0.35) | — | |
| SCHEMBL270073 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL5793444 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL3668894 | 0.73 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0646605-B1 | Components and catalysts for the polymerization of olefins | MONTELL NORTH AMERICA INC (US) | 1999-06-02 | — | — | EP | disclosed |
| US-5468704-A | Comprising titanium halide or halogen alcoholate supported on magnesium halide and a diketone electron donor; preparing polypropylene of high isotacticity | MONTELL NORTH AMERICA INC. (US) | 1995-11-21 | — | — | US | disclosed |
| EP-0646605-A1 | Components and catalysts for the polymerization of olefins | MONTELL NORTH AMERICA INC. (US) | 1995-04-05 | — | — | EP | disclosed |