⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18238793 | 0.70 | — | — | |
| SCHEMBL8228480 | 0.62 | — | — | |
| SCHEMBL15943103 | 0.57 | OPRD1 (0.31) | — | |
| SCHEMBL16070700 | 0.57 | — | — | |
| SCHEMBL6784338 | 0.55 | LMNA (0.38) | — | |
| SCHEMBL21337855 | 0.55 | — | — | |
| SCHEMBL1144529 | 0.53 | — | — | |
| SCHEMBL1173252 | 0.52 | — | — | |
| SCHEMBL8265754 | 0.52 | — | — | |
| SCHEMBL180205 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020016243-A1 | PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH | HEPAREGENIX GMBH (DE) | 2020-01-23 | — | — | WO | disclosed |