⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2832866 | 0.60 | MAPT (0.36) | — | |
| SCHEMBL21763275 | 0.56 | GAA (0.31) | — | |
| SCHEMBL21969715 | 0.56 | — | — | |
| SCHEMBL21969456 | 0.56 | — | — | |
| SCHEMBL31415039 | 0.55 | MAPT (0.33) | — | |
| SCHEMBL8874422 | 0.54 | TDO2 (0.31) | — | |
| SCHEMBL21763531 | 0.52 | — | — | |
| SCHEMBL22342441 | 0.51 | — | — | |
| SCHEMBL22845774 | 0.51 | HSP90AA1 (0.41) | — | |
| Selenium SCHEMBL31718132 | 0.49 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11034840-B2 | Water-soluble polymeric dyes | BECTON, DICKINSON AND COMPANY (US) | 2021-06-15 | — | — | US | disclosed |
| US-20200062966-A1 | Water-Soluble Polymeric Dyes | BECTON, DICKINSON AND COMPANY | 2020-02-27 | — | — | US | disclosed |