⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40708 | 0.87 | — | — | |
| Pyrrole SCHEMBL28827461 | 0.84 | — | — | |
| Piperazine SCHEMBL28135603 | 0.81 | — | — | |
| SCHEMBL28245243 | 0.75 | HRH2 (0.34) | — | |
| Pyrrole SCHEMBL28865869 | 0.74 | GPR119 (0.32) | — | |
| SCHEMBL8865924 | 0.74 | — | — | |
| SCHEMBL28246000 | 0.73 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL30587626 | 0.73 | — | — | |
| Pyrrole SCHEMBL5803356 | 0.72 | CYP3A4 (0.33) | — | |
| SCHEMBL14693703 | 0.71 | TSHR (0.47) | — |
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-105683188-B | The ring pyridinyl derivatives of condensed ring two as FGFR4 inhibitor | 诺华股份有限公司 | 2018-02-09 | — | — | CN | disclosed |