⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6649893 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL6648908 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6650649 | 0.95 | — | — | |
| SCHEMBL6650477 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6649469 | 0.81 | — | — | |
| SCHEMBL6651291 | 0.80 | — | — | |
| SCHEMBL6648216 | 0.79 | DUT (0.36) | — | |
| Hydrochloric Acid SCHEMBL6648403 | 0.78 | — | — | |
| SCHEMBL6651663 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6651877 | 0.76 | DUT (0.34) | — |
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-1095944-B1 | Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof | REPSOL QUIMICA SA (ES) | 2004-03-17 | — | — | EP | disclosed |
| US-6534665-B1 | Used for polymerization and copolymerization of olefins | REPSOL QUIMICA S.A. (ES) | 2003-03-18 | — | — | US | disclosed |
| EP-1095944-A1 | Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof | REPSOL QUIMICA S.A. (ES) | 2001-05-02 | — | — | EP | disclosed |