⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4486331 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL4494700 | 0.78 | — | — | |
| SCHEMBL8648440 | 0.78 | — | — | |
| SCHEMBL1297592 | 0.75 | — | — | |
| SCHEMBL15292537 | 0.75 | CYP3A4 (0.37) | — | |
| SCHEMBL2168845 | 0.75 | — | — | |
| SCHEMBL5702851 | 0.74 | CYP3A4 (0.47) | — | |
| SCHEMBL1736514 | 0.73 | — | — | |
| SCHEMBL2642368 | 0.73 | — | — | |
| SCHEMBL1311664 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513125-A1 | METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOL CARBENE-LIGANDS AND THE USE THEREOF IN OLEDS | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| EP-2493906-A1 | HETEROLEPTIC CARBENE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS | BASF SE (DE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011073149-A1 | METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOL CARBENE-LIGANDS AND THE USE THEREOF IN OLEDS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011051404-A1 | HETEROLEPTIC CARBENE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS | BASF SE (DE) | 2011-05-05 | — | — | WO | disclosed |
| EP-1169355-B1 | CROSS-LINKED ACRYLIC MICROPARTICLES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN COVERINGS AND MOULDING PRODUCTS | CRAY VALLEY SA (FR) | 2005-08-03 | — | — | EP | disclosed |
| EP-1169355-A1 | CROSS-LINKED ACRYLIC MICROPARTICLES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN COVERINGS AND MOULDING PRODUCTS | CRAY VALLEY SA (FR) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000059952-A1 | CROSS-LINKED ACRYLIC MICROPARTICLES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN COVERINGS AND MOULDING PRODUCTS | CRAY VALLEY SA (FR) | 2000-10-12 | — | — | WO | disclosed |