⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13723029 | 0.80 | PNMT (0.40) | — | |
| SCHEMBL13723097 | 0.77 | — | — | |
| SCHEMBL19439609 | 0.70 | PNMT (0.38) | — | |
| SCHEMBL13723588 | 0.68 | — | — | |
| SCHEMBL12711313 | 0.66 | CYP2A6 (0.40) | — | |
| SCHEMBL12711276 | 0.65 | KDR (0.33) | — | |
| SCHEMBL12711352 | 0.64 | KDR (0.32) | — | |
| SCHEMBL26503622 | 0.62 | — | — | |
| SCHEMBL12711295 | 0.61 | ESR1 (0.39) | — | |
| SCHEMBL18386510 | 0.61 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009099070-A1 | ORGANIC SEMICONDUCTOR MATERIAL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-08-13 | — | — | WO | disclosed |