⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1548528 | 0.83 | — | — | |
| SCHEMBL734552 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL19410271 | 0.73 | — | — | |
| SCHEMBL1131970 | 0.73 | — | — | |
| SCHEMBL5052093 | 0.73 | THRB (0.36) | — | |
| SCHEMBL8439696 | 0.73 | — | — | |
| SCHEMBL2505750 | 0.71 | — | — | |
| SCHEMBL8886206 | 0.71 | — | — | |
| SCHEMBL3284707 | 0.71 | — | — | |
| SCHEMBL21428093 | 0.70 | CYP2D6 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105683155-A | Novel diamine, polyamic acid, and polyimide | 日产化学工业株式会社 | 2016-06-15 | — | — | CN | disclosed |