⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12587568 | 0.94 | TYR (0.31) | — | |
| SCHEMBL12587570 | 0.90 | TYR (0.33) | — | |
| SCHEMBL12587569 | 0.88 | MEN1 (0.30) | — | |
| SCHEMBL862401 | 0.87 | TYR (0.35) | — | |
| SCHEMBL12593277 | 0.87 | TYR (0.35) | — | |
| SCHEMBL12587567 | 0.83 | TYR (0.33) | — | |
| SCHEMBL12610408 | 0.82 | TYR (0.32) | — | |
| SCHEMBL16285008 | 0.81 | TYR (0.34) | — | |
| SCHEMBL15724568 | 0.81 | TYR (0.31) | — | |
| SCHEMBL12610358 | 0.81 | TYR (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-20110156018-A1 | POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-06-30 | — | — | US | disclosed |