⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11035480 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL10605874 | 0.77 | HTR2A (0.31) | — | |
| SCHEMBL2361101 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL4006679 | 0.73 | — | — | |
| SCHEMBL8626498 | 0.72 | — | — | |
| SCHEMBL29145259 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL28869189 | 0.69 | — | — | |
| SCHEMBL31318310 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL27895796 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL25434889 | 0.67 | HTR6 (0.38) | — |
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-20090322210-A1 | Organic electroluminescent element substrate, and organic electroluminescent element and the manufacturing method | TOPPAN PRINTING CO., LTD. (JP) | 2009-12-31 | — | — | US | disclosed |