⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12715186 | 0.77 | GAA (0.44) | — | |
| SCHEMBL12216668 | 0.71 | GAA (0.39) | — | |
| SCHEMBL14224383 | 0.70 | — | — | |
| SCHEMBL14224384 | 0.66 | — | — | |
| SCHEMBL12715267 | 0.65 | GAA (0.42) | — | |
| SCHEMBL13943136 | 0.64 | GAA (0.54) | — | |
| SCHEMBL12153959 | 0.64 | GAA (0.54) | — | |
| SCHEMBL13967099 | 0.63 | GAA (0.36) | — | |
| SCHEMBL13943828 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL14562186 | 0.60 | GAA (0.57) | — |
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-20080090174-A1 | Novel Oxonol Dye Compounds and Optical Information Recording Medium | FUJIFILM CORPORATION (JP) | 2008-04-17 | — | — | US | disclosed |