⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12744325 | 0.88 | — | — | |
| SCHEMBL12715217 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL12744326 | 0.84 | — | — | |
| SCHEMBL12743583 | 0.81 | — | — | |
| SCHEMBL12715213 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL12715721 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL13967308 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL12715206 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL13877517 | 0.72 | — | — | |
| SCHEMBL14197384 | 0.71 | ALDH1A1 (0.37) | — |
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 |