⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7102582 | 0.86 | — | — | |
| SCHEMBL5085990 | 0.86 | — | — | |
| SCHEMBL3890753 | 0.82 | — | — | |
| SCHEMBL7106751 | 0.81 | — | — | |
| SCHEMBL8219920 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4694321 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6902438 | 0.68 | — | — | |
| SCHEMBL20474080 | 0.67 | — | — | |
| SCHEMBL5400462 | 0.67 | — | — | |
| SCHEMBL5086635 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0856518-B1 | Metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA SA (ES) | 2003-04-09 | — | — | EP | disclosed |
| US-20020032294-A1 | Heterogeneous catalyst components for olefins polymerization, preparation process and use thereof | REPSOL QUIMICA S.A. | 2002-03-14 | — | — | US | disclosed |
| US-6278009-B1 | AS POLYMERIZATION CATALYST IN ADDITION POLYMERIZATION | REPSOL QUIMICA S.A. (ES) | 2001-08-21 | — | — | US | disclosed |
| US-6018064-A | Metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA S.A. (ES) | 2000-01-25 | — | — | US | disclosed |
| EP-0856524-A1 | Heterogeneous catalyst components for olefins polymerization, preparation process and use thereof | REPSOL QUIMICA S.A. (ES) | 1998-08-05 | — | — | EP | disclosed |
| EP-0856518-A1 | Metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA S.A. (ES) | 1998-08-05 | — | — | EP | disclosed |