⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21940456 | 0.80 | CHRM2 (0.33) | — | |
| SCHEMBL20606970 | 0.77 | — | — | |
| SCHEMBL20371661 | 0.76 | FFAR1 (0.37) | — | |
| SCHEMBL21819814 | 0.75 | FFAR1 (0.35) | — | |
| SCHEMBL15334053 | 0.75 | FFAR1 (0.49) | — | |
| SCHEMBL15359061 | 0.75 | FFAR1 (0.49) | — | |
| SCHEMBL15377247 | 0.75 | FFAR1 (0.49) | — | |
| SCHEMBL30154016 | 0.74 | FFAR1 (0.35) | — | |
| SCHEMBL21940571 | 0.73 | LRRK2 (0.39) | — | |
| SCHEMBL21940795 | 0.73 | LRRK2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423445-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2020-04-01 | — | — | EP | disclosed |