⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13079466 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL13079465 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL5881310 | 0.71 | — | — | |
| SCHEMBL28428222 | 0.70 | — | — | |
| SCHEMBL14625642 | 0.69 | CYP3A4 (0.33) | — | |
| SCHEMBL14669625 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL29067134 | 0.67 | CA1 (0.34) | — | |
| SCHEMBL6738880 | 0.66 | — | — | |
| SCHEMBL9752473 | 0.66 | CYP3A4 (0.32) | — | |
| SCHEMBL10850436 | 0.65 | — | — |
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-0891988-B1 | Components and catalysts for the polymerization of olefins | BASELL POLIOLEFINE SPA (IT) | 2003-06-04 | — | — | EP | disclosed |
| EP-0451645-B1 | Components and catalysts for the polymerization of olefins | MONTELL NORTH AMERICA INC (US) | 1999-05-12 | — | — | EP | disclosed |
| EP-0891988-A2 | Components and catalysts for the polymerization of olefins | MONTELL NORTH AMERICA INC. (US) | 1999-01-20 | — | — | EP | disclosed |
| US-5068213-A | COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | HINMONT INCORPORATED (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0451645-A2 | Components and catalysts for the polymerization of olefins | MONTELL NORTH AMERICA INC. (US) | 1991-10-16 | — | — | EP | disclosed |