⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27307161 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL27307057 | 0.85 | — | — | |
| SCHEMBL27307055 | 0.81 | MGAT1 (0.31) | — | |
| SCHEMBL27307059 | 0.81 | — | — | |
| SCHEMBL27307276 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL27307149 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL27306488 | 0.75 | — | — | |
| SCHEMBL27305997 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL27307270 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL27307156 | 0.71 | ALDH1A1 (0.33) | — |
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-2023235855-A1 | QUINOLINEAMINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF | FLEXSYS AMERICA L.P. (US) | 2023-12-07 | — | — | WO | disclosed |