⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7583845 | 0.79 | HTR2A (0.31) | — | |
| SCHEMBL9421209 | 0.75 | — | — | |
| SCHEMBL7032913 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL3154189 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL4946930 | 0.66 | MEN1 (0.32) | — | |
| SCHEMBL12237024 | 0.64 | — | — | |
| SCHEMBL8152644 | 0.63 | SLC6A2 (0.31) | — | |
| SCHEMBL8503531 | 0.63 | PDCD1 (0.31) | — | |
| SCHEMBL5836290 | 0.62 | PDCD1 (0.31) | — | |
| SCHEMBL7590768 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1115730-B1 | CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES | ALBEMARLE CORP (US) | 2002-10-02 | — | — | EP | disclosed |
| EP-1115730-A1 | CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES | ALBEMARLE CORPORATION (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000017213-A1 | CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES | ALBEMARLE CORPORATION (US) | 2000-03-30 | — | — | WO | disclosed |
| US-5965759-A | Catalytic process for isomerizing metallocenes | ALBEMARLE CORPORATION (US) | 1999-10-12 | — | — | US | disclosed |