⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5394505 | 0.70 | — | — | |
| SCHEMBL3890753 | 0.67 | — | — | |
| SCHEMBL20474080 | 0.67 | — | — | |
| SCHEMBL6302869 | 0.67 | — | — | |
| Carbon Monoxide SCHEMBL7520837 | 0.65 | — | — | |
| SCHEMBL4633093 | 0.65 | — | — | |
| SCHEMBL8468531 | 0.65 | — | — | |
| SCHEMBL5090138 | 0.65 | — | — | |
| SCHEMBL8136296 | 0.65 | — | — | |
| Carbon Monoxide SCHEMBL7522279 | 0.64 | — | — |
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-5962718-A | Zirconocenes and hafnocenes with boron-substituted cyclopentadienyl-ligands and the method of producing them | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1999-10-05 | — | — | US | disclosed |
| EP-0866795-A1 | ZIRCONOCENES AND HAFNOCENES WITH BORON-SUBSTITUTED CYCLOPENTADIENYL-LIGANDS AND THE METHOD OF PRODUCING THEM | Studiengesellschaft Kohle mbH (DE) | 1998-09-30 | — | — | EP | disclosed |
| WO-1997015581-A1 | ZIRCONOCENES AND HAFNOCENES WITH BORON-SUBSTITUTED CYCLOPENTADIENYL-LIGANDS AND THE METHOD OF PRODUCING THEM | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1997-05-01 | — | — | WO | disclosed |