⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2610825 | 0.79 | — | — | |
| SCHEMBL18910176 | 0.79 | ALOX5 (0.47) | — | |
| SCHEMBL9830633 | 0.75 | — | — | |
| SCHEMBL7564954 | 0.75 | — | — | |
| SCHEMBL21695410 | 0.75 | — | — | |
| SCHEMBL12260264 | 0.75 | ALOX5 (0.44) | — | |
| SCHEMBL506526 | 0.75 | — | — | |
| SCHEMBL18832648 | 0.75 | — | — | |
| SCHEMBL12261660 | 0.75 | — | — | |
| SCHEMBL8737184 | 0.75 | ALOX5 (0.44) | — |
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-1946778-A1 | Active substance combination for the treatment of diabetes | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |