⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23966524 | 0.96 | PTGES (0.31) | — | |
| SCHEMBL23915463 | 0.85 | — | — | |
| SCHEMBL23909131 | 0.85 | XDH (0.36) | — | |
| SCHEMBL23966525 | 0.85 | — | — | |
| SCHEMBL23915460 | 0.84 | — | — | |
| SCHEMBL23966527 | 0.84 | — | — | |
| SCHEMBL23914757 | 0.81 | XDH (0.36) | — | |
| SCHEMBL23966528 | 0.80 | PTGES (0.31) | — | |
| SCHEMBL23915472 | 0.79 | XDH (0.32) | — | |
| SCHEMBL23909013 | 0.76 | XDH (0.38) | — |
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-3649119-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2021-11-03 | — | — | EP | disclosed |