⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9819945 | 0.74 | MEN1 (0.41) | — | |
| SCHEMBL10352693 | 0.68 | APP (0.39) | — | |
| SCHEMBL9820082 | 0.68 | MCL1 (0.35) | — | |
| SCHEMBL741585 | 0.66 | APP (0.40) | — | |
| SCHEMBL9819998 | 0.65 | GAA (0.44) | — | |
| SCHEMBL9819961 | 0.65 | GAA (0.43) | — | |
| SCHEMBL9820046 | 0.65 | GRIN1 (0.36) | — | |
| SCHEMBL9836825 | 0.64 | AKR1B1 (0.39) | — | |
| SCHEMBL9835193 | 0.64 | GAA (0.45) | — | |
| SCHEMBL31022115 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0156347-B1 | GLYCOSIDES OF RESOFURIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE IN THE DETERMINATION OF THE ACTIVITY OF GLYCOSIDASES | Roche Diagnostics GmbH (DE) | 1991-09-04 | — | — | EP | disclosed |
| EP-0217371-A2 | Phosphates of resorufin derivatives, process for their preparation and their use in the determination of the activity of phosphatases | Roche Diagnostics GmbH (DE) | 1987-04-08 | — | — | EP | disclosed |
| EP-0156347-A2 | Glycosides of resofurin derivatives, method for their preparation and their use in the determination of the activity of glycosidases | Roche Diagnostics GmbH (DE) | 1985-10-02 | — | — | EP | disclosed |