⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6652086 | 0.98 | — | — | |
| SCHEMBL6649873 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL6653385 | 0.89 | — | — | |
| SCHEMBL6651101 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL6648510 | 0.86 | — | — | |
| SCHEMBL6650825 | 0.78 | CYP17A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6655491 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6648044 | 0.77 | CYP17A1 (0.36) | — | |
| SCHEMBL6651176 | 0.70 | CYP17A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6648542 | 0.68 | CYP17A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6534665-B1 | Used for polymerization and copolymerization of olefins | REPSOL QUIMICA S.A. (ES) | 2003-03-18 | — | — | US | claimed |
| 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 |