⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8827318 | 0.77 | LMNA (0.34) | — | |
| SCHEMBL1896805 | 0.73 | — | — | |
| SCHEMBL6203694 | 0.70 | — | — | |
| SCHEMBL6793177 | 0.69 | — | — | |
| SCHEMBL8474429 | 0.69 | — | — | |
| SCHEMBL11615977 | 0.69 | — | — | |
| SCHEMBL4117712 | 0.69 | — | — | |
| SCHEMBL11704109 | 0.68 | — | — | |
| Oxirane SCHEMBL6367168 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL31239138 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2721043-A1 | METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS | BASF SE (DE) | 2014-04-23 | — | — | EP | disclosed |
| WO-2012172482-A1 | METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS | BASF SE (DE) | 2012-12-20 | — | — | WO | disclosed |