⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL739711 | 0.80 | KDM4E (0.43) | — | |
| SCHEMBL739894 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL740327 | 0.75 | CYP3A4 (0.39) | — | |
| SCHEMBL739800 | 0.73 | — | — | |
| SCHEMBL737118 | 0.72 | CCR1 (0.39) | — | |
| SCHEMBL738445 | 0.71 | PDE10A (0.31) | — | |
| SCHEMBL737137 | 0.71 | LYN (0.38) | — | |
| SCHEMBL22326641 | 0.69 | CCR1 (0.48) | — | |
| SCHEMBL738401 | 0.69 | CYP3A4 (0.39) | — | |
| SCHEMBL736203 | 0.68 | KDM4E (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1847545-B1 | SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | UBE INDUSTRIES (JP) | 2013-03-06 | — | — | EP | disclosed |
| US-8137821-B2 | Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same | UBE INDUSTRIES, LTD. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-20090091243-A1 | Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same | UBE INDUSTRIES, LTD. (JP) | 2009-04-09 | — | — | US | disclosed |
| EP-1847545-A1 | SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | Ube Industries, Ltd. (JP) | 2007-10-24 | — | — | EP | disclosed |