⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7488337 | 0.68 | CHRM3 (0.33) | — | |
| SCHEMBL7719560 | 0.67 | CHRM3 (0.36) | — | |
| SCHEMBL12273460 | 0.62 | — | — | |
| SCHEMBL16270849 | 0.62 | PNMT (0.36) | — | |
| SCHEMBL16501391 | 0.60 | — | — | |
| SCHEMBL31643441 | 0.59 | — | — | |
| SCHEMBL10432964 | 0.58 | — | — | |
| SCHEMBL28048119 | 0.58 | HSD11B1 (0.51) | — | |
| SCHEMBL8411402 | 0.57 | ALDH1A1 (0.30) | — | |
| SCHEMBL5009373 | 0.57 | CHRM3 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1191020-A2 | Material for organic electroluminescence device and use thereof | TOYO INK MANUFACTURING CO., LTD. (JP) | 2002-03-27 | — | — | EP | disclosed |
| US-6245449-B1 | LIGHT EMITTER LAYERS OR ORGANIC COMPOUNDS, THIN LAYERS AND ELECTRODES, ANODES AND CATHODES | TOYO INK MANUFACTURING CO., LTD. (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-0847228-A2 | Material for organoelectroluminescence device and use thereof | TOYO INK MANUFACTURING CO., LTD. (JP) | 1998-06-10 | — | — | EP | disclosed |