⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3160601 | 0.64 | — | — | |
| SCHEMBL13714368 | 0.56 | ALDH1A1 (0.44) | — | |
| SCHEMBL13714291 | 0.54 | ALDH1A1 (0.42) | — | |
| SCHEMBL13742221 | 0.54 | ALDH1A1 (0.42) | — | |
| SCHEMBL13714292 | 0.54 | ALDH1A1 (0.42) | — | |
| SCHEMBL9294210 | 0.53 | — | — | |
| SCHEMBL13741652 | 0.52 | ALDH1A1 (0.32) | — | |
| SCHEMBL13742386 | 0.52 | ALDH1A1 (0.47) | — | |
| SCHEMBL13741629 | 0.52 | ALDH1A1 (0.47) | — | |
| SCHEMBL24287048 | 0.51 | ALDH1A1 (0.32) | — |
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-4105798-A | Perfluoro polycyclic compounds for use as synthetic blood and perfusion media | SUN VENTURES, INC. (US) | 1978-08-08 | — | — | US | disclosed |