⚠ 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 SCHEMBL6649802 | 0.97 | — | — | |
| SCHEMBL6650121 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL6648522 | 0.90 | — | — | |
| SCHEMBL6650798 | 0.85 | — | — | |
| SCHEMBL6651823 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL6652540 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6650832 | 0.82 | — | — | |
| SCHEMBL6652642 | 0.81 | — | — | |
| SCHEMBL6651129 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6650641 | 0.79 | — | — |
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 |