⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7107274 | 0.90 | — | — | |
| SCHEMBL7106720 | 0.83 | — | — | |
| SCHEMBL6916191 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7106042 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL6469811 | 0.74 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL7107277 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL216950 | 0.72 | HTR6 (0.33) | — | |
| SCHEMBL8560772 | 0.71 | HTR6 (0.30) | — | |
| SCHEMBL8408407 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7106724 | 0.70 | KDM4E (0.31) | — |
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-0856518-B1 | Metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA SA (ES) | 2003-04-09 | — | — | EP | disclosed |
| US-6018064-A | Metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA S.A. (ES) | 2000-01-25 | — | — | US | disclosed |
| EP-0856518-A1 | Metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA S.A. (ES) | 1998-08-05 | — | — | EP | disclosed |