⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3999853 | 0.93 | PDCD1 (0.31) | — | |
| SCHEMBL4008013 | 0.90 | PDCD1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2513705 | 0.88 | BCHE (0.31) | — | |
| SCHEMBL3999682 | 0.83 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2513599 | 0.83 | CNR1 (0.33) | — | |
| SCHEMBL4002684 | 0.82 | PDCD1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2508972 | 0.81 | ADRB2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1024391 | 0.78 | — | — | |
| SCHEMBL3999593 | 0.77 | PTGS1 (0.33) | — | |
| SCHEMBL7047718 | 0.77 | PDCD1 (0.30) | — |
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-1556417-B1 | RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS | BASELL POLYOLEFINE GMBH (DE) | 2009-06-10 | — | — | EP | disclosed |
| US-7358381-B2 | Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands | BASELL POLYOLEFINE GMBH (DE) | 2008-04-15 | — | — | US | disclosed |
| US-20060111527-A1 | Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands | EQUISTAR CHEMICALS, LP | 2006-05-25 | — | — | US | disclosed |
| EP-1556417-A2 | RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS | Basell Polyolefine GmbH (DE) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004037834-A2 | RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS | BASELL POLYOLEFINE GMBH (DE) | 2004-05-06 | — | — | WO | disclosed |