⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6652825 | 0.91 | MAPT (0.31) | — | |
| SCHEMBL6650393 | 0.91 | ALDH1A1 (0.37) | — | |
| SCHEMBL12201169 | 0.90 | TSHR (0.32) | — | |
| SCHEMBL6648857 | 0.87 | TDP1 (0.41) | — | |
| SCHEMBL6652388 | 0.87 | MAPT (0.42) | — | |
| SCHEMBL6653907 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL12201135 | 0.84 | KDM4E (0.46) | — | |
| SCHEMBL28496240 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL28944802 | 0.79 | KMT2A (0.30) | — | |
| SCHEMBL629917 | 0.77 | TSHR (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1095944-A1 | Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof | REPSOL QUIMICA S.A. (ES) | 2001-05-02 | — | — | EP | disclosed |