⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14194953 | 0.79 | — | — | |
| SCHEMBL3642051 | 0.75 | — | — | |
| SCHEMBL1685601 | 0.75 | — | — | |
| SCHEMBL1685600 | 0.75 | — | — | |
| SCHEMBL19017742 | 0.73 | — | — | |
| SCHEMBL23978547 | 0.68 | — | — | |
| SCHEMBL27578845 | 0.67 | — | — | |
| SCHEMBL21782901 | 0.67 | HDAC3 (0.35) | — | |
| SCHEMBL5986149 | 0.67 | — | — | |
| SCHEMBL848107 | 0.67 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017073942-A1 | ELECTRON BUFFERING MATERIALS, ELECTRON TRANSPORT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-05-04 | — | — | WO | disclosed |