⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18236376 | 0.79 | — | — | |
| SCHEMBL18233164 | 0.78 | — | — | |
| SCHEMBL19449597 | 0.75 | — | — | |
| SCHEMBL13063433 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL24845007 | 0.71 | — | — | |
| SCHEMBL3058648 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL22747636 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL19454778 | 0.69 | — | — | |
| SCHEMBL22292689 | 0.69 | — | — | |
| SCHEMBL18233161 | 0.69 | — | — |
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-20170294597-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2017-10-12 | — | — | US | disclosed |