⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19852285 | 0.60 | — | — | |
| SCHEMBL10689939 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL4906291 | 0.57 | SIGMAR1 (0.35) | — | |
| SCHEMBL13563612 | 0.56 | — | — | |
| SCHEMBL981929 | 0.56 | — | — | |
| SCHEMBL5374584 | 0.55 | POLB (0.30) | — | |
| SCHEMBL11318400 | 0.55 | — | — | |
| SCHEMBL19521305 | 0.55 | — | — | |
| SCHEMBL21408162 | 0.54 | MMP9 (0.32) | — | |
| SCHEMBL575938 | 0.54 | LMNA (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10324713-A | — | — | None | — | — | JP | disclosed |
| JP-H10324713-A | UNSATURATED POLYCATION, ITS PRODUCTION AND ITS USE | CLARIANT GMBH | 1998-12-08 | — | — | JP | disclosed |