⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19265749 | 1.00 | — | — | |
| SCHEMBL24034394 | 0.77 | — | — | |
| SCHEMBL20257873 | 0.74 | — | — | |
| SCHEMBL24766467 | 0.72 | — | — | |
| SCHEMBL8117320 | 0.71 | — | — | |
| SCHEMBL20457740 | 0.70 | — | — | |
| SCHEMBL20457742 | 0.70 | — | — | |
| SCHEMBL21737176 | 0.70 | — | — | |
| SCHEMBL23395390 | 0.69 | — | — | |
| SCHEMBL21118414 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021018820-A1 | HETEROARYL-SUBSTITUTED PYRAZOLO-PYRIDINE PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH | HEPAREGENIX GMBH (DE) | 2021-02-04 | — | — | WO | disclosed |