⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10018075 | 0.84 | — | — | |
| SCHEMBL10018094 | 0.83 | S100A4 (0.32) | — | |
| SCHEMBL10018072 | 0.82 | — | — | |
| SCHEMBL10018090 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL10018091 | 0.82 | — | — | |
| SCHEMBL10018086 | 0.82 | — | — | |
| SCHEMBL10018081 | 0.78 | — | — | |
| SCHEMBL10018093 | 0.78 | — | — | |
| SCHEMBL9970447 | 0.78 | — | — | |
| SCHEMBL10018080 | 0.77 | USP8 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8120019-B2 | Organic light-emitting element having tetracyano compound and display device | CANON KABUSHIKI KAISHA (JP) | 2012-02-21 | — | — | US | disclosed |