⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11829608 | 0.65 | — | — | |
| SCHEMBL28521047 | 0.64 | — | — | |
| SCHEMBL11061768 | 0.58 | — | — | |
| SCHEMBL898055 | 0.57 | SUCNR1 (0.40) | — | |
| SCHEMBL11883934 | 0.56 | SUCNR1 (0.38) | — | |
| SCHEMBL25265311 | 0.53 | — | — | |
| Bicarbonate SCHEMBL1283674 | 0.49 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL472336 | 0.49 | — | — | |
| Bicarbonate SCHEMBL145976 | 0.49 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL19075 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5935959-A | CYSTEINE PROTEASE INHIBITORS | SENJU PHARMACEUTICAL CO., LTD. (JP) | 1999-08-10 | — | — | US | disclosed |