⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4355596 | 0.75 | — | — | |
| Bromide SCHEMBL4364916 | 0.73 | — | — | |
| Fluoride Ion SCHEMBL3469779 | 0.73 | — | — | |
| SCHEMBL4358468 | 0.72 | — | — | |
| SCHEMBL5396186 | 0.68 | ALDH1A1 (0.41) | — | |
| Potassium Ion SCHEMBL7746261 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL7743750 | 0.68 | ALDH1A1 (0.41) | — | |
| Lithium Ion SCHEMBL7743747 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL10874622 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL4363292 | 0.67 | ALDH1A1 (0.38) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7619106-B2 | Preparation of partially hydrogenated rac-ansa-metallocene complexes | BASELL POLYOLEFINE GMBH (DE) | 2009-11-17 | — | — | US | claimed |
| US-20080200708-A1 | Preparation of Partially Hydrogenated Rac-Ansa-Metallocene Complexes | BASELL POLYOLEFINE GMBH (DE) | 2008-08-21 | — | — | US | claimed |
| EP-1554295-B1 | PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2008-07-02 | — | — | EP | claimed |
| EP-1554295-A1 | PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES | Basell Polyolefine GmbH (DE) | 2005-07-20 | — | — | EP | claimed |
| WO-2004037838-A1 | PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2004-05-06 | — | — | WO | claimed |
| US-7619106-B2 | Preparation of partially hydrogenated rac-ansa-metallocene complexes | BASELL POLYOLEFINE GMBH (DE) | 2009-11-17 | — | — | US | disclosed |
| US-20080200708-A1 | Preparation of Partially Hydrogenated Rac-Ansa-Metallocene Complexes | BASELL POLYOLEFINE GMBH (DE) | 2008-08-21 | — | — | US | disclosed |
| EP-1554295-B1 | PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2008-07-02 | — | — | EP | disclosed |
| EP-1554295-A1 | PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES | Basell Polyolefine GmbH (DE) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004037838-A1 | PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2004-05-06 | — | — | WO | disclosed |