⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9163351 | 0.90 | — | — | |
| SCHEMBL5705399 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL392381 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4482101 | 0.85 | — | — | |
| SCHEMBL26477391 | 0.71 | — | — | |
| SCHEMBL517101 | 0.71 | — | — | |
| SCHEMBL24403554 | 0.70 | — | — | |
| SCHEMBL6815600 | 0.68 | — | — | |
| SCHEMBL12856768 | 0.67 | — | — | |
| SCHEMBL27964409 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539774-B1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2007-06-06 | — | — | EP | disclosed |
| US-7202373-B2 | Monocyclopentadienyl complexes | BASELL POLYOLEFINE GMBH (DE) | 2007-04-10 | — | — | US | disclosed |
| US-20060004215-A1 | Monocyclopentadienyl complexes | EQUISTAR CHEMICALS, LP | 2006-01-05 | — | — | US | disclosed |
| EP-1539774-A1 | MONOCYCLOPENTADIENYL COMPLEXES | Basell Polyolefine GmbH (DE) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018489-A1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2004-03-04 | — | — | WO | disclosed |