⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9045411 | 1.00 | — | — | |
| SCHEMBL9048178 | 1.00 | — | — | |
| SCHEMBL9045827 | 1.00 | — | — | |
| Fumaric Acid SCHEMBL9047824 | 0.92 | TSHR (0.30) | — | |
| Fumaric Acid SCHEMBL9046296 | 0.92 | TSHR (0.30) | — | |
| SCHEMBL9050947 | 0.89 | — | — | |
| SCHEMBL9045769 | 0.89 | — | — | |
| SCHEMBL9045414 | 0.77 | PARP1 (0.30) | — | |
| SCHEMBL9045698 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL9046974 | 0.73 | BRD4 (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-0749966-A1 | 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-12-27 | — | — | EP | disclosed |