⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13450488 | 0.76 | — | — | |
| SCHEMBL14495597 | 0.74 | — | — | |
| SCHEMBL17928532 | 0.71 | — | — | |
| SCHEMBL14828667 | 0.69 | — | — | |
| SCHEMBL14213401 | 0.68 | GRIK1 (0.31) | — | |
| SCHEMBL13971291 | 0.68 | GRIK1 (0.31) | — | |
| SCHEMBL21845035 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL13786730 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL27410261 | 0.67 | — | — | |
| SCHEMBL14670127 | 0.67 | — | — |
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-2021032323-A1 | FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES | GALAPAGOS NV (BE) | 2021-02-25 | — | — | WO | disclosed |