⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19545016 | 0.91 | PDK2 (0.37) | — | |
| SCHEMBL18518253 | 0.91 | PDK2 (0.32) | — | |
| SCHEMBL19055951 | 0.90 | PDK2 (0.35) | — | |
| SCHEMBL18518104 | 0.85 | PDK2 (0.31) | — | |
| SCHEMBL16858299 | 0.85 | PDK2 (0.30) | — | |
| SCHEMBL16926121 | 0.85 | — | — | |
| SCHEMBL16998973 | 0.85 | PDK2 (0.30) | — | |
| SCHEMBL19017793 | 0.84 | TSPO (0.30) | — | |
| SCHEMBL19017947 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL17886976 | 0.82 | PDK2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9490436-B2 | Organometallic complex, and light-emitting element and display device using the organometallic complex | SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) | 2016-11-08 | — | — | US | disclosed |
| US-20140179920-A1 | Organometallic Complex, and Light-Emitting Element and Display Device Using the Organometallic Complex | SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) | 2014-06-26 | — | — | US | disclosed |