⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL120662 | 0.73 | — | — | |
| SCHEMBL4308432 | 0.72 | — | — | |
| SCHEMBL4819249 | 0.70 | — | — | |
| SCHEMBL4023148 | 0.70 | — | — | |
| SCHEMBL28482587 | 0.70 | HDAC1 (0.33) | — | |
| SCHEMBL11321291 | 0.70 | — | — | |
| SCHEMBL5484633 | 0.68 | — | — | |
| SCHEMBL591997 | 0.68 | — | — | |
| SCHEMBL29229638 | 0.68 | — | — | |
| SCHEMBL17512953 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0661280-A1 | Novel amino acid ester and reagent composition for detecting leucocytes or elastase in body liquid | KYOTO DAIICHI KAGAKU CO., LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |