⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1537941 | 0.99 | HRH3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1538352 | 0.97 | — | — | |
| SCHEMBL4914086 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6295612 | 0.82 | — | — | |
| SCHEMBL6300446 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL27314231 | 0.81 | — | — | |
| SCHEMBL27669416 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL1538415 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL6295594 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9070270 | 0.80 | — | — |
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-1768990-B1 | IMPROVED SYNTHESIS OF ANSA-METALLOCENES AND THEIR PARENT LIGANDS IN HIGH YIELD | CHEVRON PHILLIPS CHEMICAL CO (US) | 2008-10-01 | — | — | EP | disclosed |
| US-7064225-B2 | Synthesis of ansa-metallocenes and their parent ligands in high yield | CHEVRON PHILLIPS CHEMICAL COMPANY, L.P. (US) | 2006-06-20 | — | — | US | disclosed |
| US-20050285284-A1 | Synthesis of ansa-metallocenes and their parent ligands in high yield | CHEVRON PHILLIPS CHEMICAL COMPANY | 2005-12-29 | — | — | US | disclosed |