⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3383637 | 0.75 | — | — | |
| SCHEMBL3119127 | 0.71 | — | — | |
| SCHEMBL12841374 | 0.71 | — | — | |
| SCHEMBL13082955 | 0.71 | — | — | |
| SCHEMBL19049996 | 0.69 | CA12 (0.33) | — | |
| SCHEMBL2167597 | 0.69 | EHMT2 (0.38) | — | |
| SCHEMBL18724895 | 0.69 | — | — | |
| SCHEMBL20414277 | 0.69 | — | — | |
| SCHEMBL3104326 | 0.68 | — | — | |
| SCHEMBL2917861 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1735325-A1 | STABLE HIGH OXIDATION STATE DIAMINE METALLOCENES AND PROCESSES FOR THEIR PREPARATION | Agency for Science, Technology and Research (SG) | 2006-12-27 | — | — | EP | claimed |
| US-7030257-B2 | Metallocenes and processes for their preparation | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2006-04-18 | — | — | US | claimed |
| WO-2005100372-A1 | STABLE HIGH OXIDATION STATE DIAMINE METALLOCENES AND PROCESSES FOR THEIR PREPARATION | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2005-10-27 | — | — | WO | claimed |
| US-20050228189-A1 | Novel metallocenes and processes for their preparation | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2005-10-13 | — | — | US | claimed |
| EP-1735325-A1 | STABLE HIGH OXIDATION STATE DIAMINE METALLOCENES AND PROCESSES FOR THEIR PREPARATION | Agency for Science, Technology and Research (SG) | 2006-12-27 | — | — | EP | disclosed |
| US-7030257-B2 | Metallocenes and processes for their preparation | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2006-04-18 | — | — | US | disclosed |
| WO-2005100372-A1 | STABLE HIGH OXIDATION STATE DIAMINE METALLOCENES AND PROCESSES FOR THEIR PREPARATION | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2005-10-27 | — | — | WO | disclosed |
| US-20050228189-A1 | Novel metallocenes and processes for their preparation | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2005-10-13 | — | — | US | disclosed |