⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29071489 | 0.85 | — | — | |
| SCHEMBL2008213 | 0.77 | — | — | |
| SCHEMBL28155833 | 0.70 | — | — | |
| SCHEMBL59855 | 0.67 | — | — | |
| SCHEMBL9312420 | 0.67 | — | — | |
| SCHEMBL28873022 | 0.67 | — | — | |
| SCHEMBL28123285 | 0.67 | — | — | |
| SCHEMBL36108 | 0.65 | — | — | |
| SCHEMBL21295903 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL27881648 | 0.65 | — | — |
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-109843936-A | Polymeric compositions prepare its method and the product comprising it | 马萨诸塞大学 | 2019-06-04 | — | — | CN | disclosed |