⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7694030 | 0.72 | NOS3 (0.30) | — | |
| SCHEMBL7693836 | 0.70 | XDH (0.32) | — | |
| SCHEMBL5859274 | 0.69 | ACHE (0.45) | — | |
| SCHEMBL7691601 | 0.67 | — | — | |
| SCHEMBL7694255 | 0.65 | — | — | |
| SCHEMBL5954212 | 0.65 | ADRA2A (0.38) | — | |
| SCHEMBL6526497 | 0.64 | GABRA1 (0.32) | — | |
| SCHEMBL7692201 | 0.64 | — | — | |
| SCHEMBL8519871 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL4677442 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6469114-B1 | TO AVOID DEPOSIT FORMATION IN THE REACTOR, SUPPORTED CATALYST SYSTEMS IN WHICH THE METALLOCENE AND/OR THE ALUMINUM COMPOUNDS SERVING AS COCATALYST ARE FIXED ON AN INORGANIC SUPPORT MATERIAL HAVE BEEN PROPOSED | BASELL POLYOLEFINS GMBH (DE) | 2002-10-22 | — | — | US | claimed |
| EP-1082363-A1 | ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE | Basell Polyolefine GmbH (DE) | 2001-03-14 | — | — | EP | claimed |
| WO-2000044799-A1 | ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE | TARGOR GMBH (DE) | 2000-08-03 | — | — | WO | claimed |
| US-6469114-B1 | TO AVOID DEPOSIT FORMATION IN THE REACTOR, SUPPORTED CATALYST SYSTEMS IN WHICH THE METALLOCENE AND/OR THE ALUMINUM COMPOUNDS SERVING AS COCATALYST ARE FIXED ON AN INORGANIC SUPPORT MATERIAL HAVE BEEN PROPOSED | BASELL POLYOLEFINS GMBH (DE) | 2002-10-22 | — | — | US | disclosed |
| EP-1082363-A1 | ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE | Basell Polyolefine GmbH (DE) | 2001-03-14 | — | — | EP | disclosed |
| WO-2000044799-A1 | ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE | TARGOR GMBH (DE) | 2000-08-03 | — | — | WO | disclosed |