⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8695237 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL27911424 | 0.79 | — | — | |
| SCHEMBL16969915 | 0.76 | — | — | |
| SCHEMBL1561895 | 0.72 | — | — | |
| SCHEMBL891016 | 0.71 | — | — | |
| SCHEMBL28459474 | 0.71 | — | — | |
| SCHEMBL14958187 | 0.71 | — | — | |
| SCHEMBL3513541 | 0.71 | — | — | |
| SCHEMBL1685764 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL27706934 | 0.71 | — | — |
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-103421846-B | The application in gene therapy of the polymine of diurethane crosslinking | 中国科学院上海生命科学研究院 | 2016-06-22 | — | — | CN | disclosed |