⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27101339 | 0.95 | — | — | |
| SCHEMBL855793 | 0.89 | BRAF (0.54) | — | |
| SCHEMBL29796894 | 0.89 | BRAF (0.54) | — | |
| SCHEMBL26247587 | 0.87 | — | — | |
| SCHEMBL26247584 | 0.87 | — | — | |
| SCHEMBL26247580 | 0.87 | — | — | |
| SCHEMBL897672 | 0.87 | — | — | |
| SCHEMBL894866 | 0.87 | — | — | |
| SCHEMBL30585369 | 0.87 | — | — | |
| SCHEMBL9188293 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110291089-A | Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 海帕瑞吉尼克斯股份有限公司 | 2019-09-27 | — | — | CN | disclosed |