⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13943917 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL13486727 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL14374890 | 0.76 | — | — | |
| SCHEMBL14562213 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL14400321 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL14572623 | 0.65 | — | — | |
| SCHEMBL14442062 | 0.63 | SIRT1 (0.39) | — | |
| SCHEMBL13745756 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL14163163 | 0.60 | — | — | |
| SCHEMBL14015307 | 0.56 | ALDH1A1 (0.41) | — |
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-20090207712-A1 | OPTICAL RECORDING MEDIUM AND METHOD OF RECORDING VISIBLE INFORMATION | FUJIFILM CORPORATION (JP) | 2009-08-20 | — | — | US | disclosed |