⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21788823 | 0.62 | GSK3A (0.32) | — | |
| SCHEMBL18944577 | 0.60 | — | — | |
| SCHEMBL13057881 | 0.59 | — | — | |
| SCHEMBL7106578 | 0.55 | — | — | |
| SCHEMBL24689915 | 0.55 | — | — | |
| SCHEMBL22136121 | 0.54 | — | — | |
| SCHEMBL18569705 | 0.52 | — | — | |
| SCHEMBL6930190 | 0.52 | — | — | |
| SCHEMBL18890261 | 0.52 | — | — | |
| SCHEMBL15615120 | 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-2020055672-A1 | FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2020-03-19 | — | — | WO | disclosed |