⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9047118 | 0.82 | — | — | |
| Fumaric Acid SCHEMBL9045597 | 0.76 | — | — | |
| SCHEMBL9047746 | 0.73 | L3MBTL1 (0.37) | — | |
| SCHEMBL9045817 | 0.69 | — | — | |
| Fumaric Acid SCHEMBL9048442 | 0.69 | — | — | |
| Fumaric Acid SCHEMBL9045625 | 0.68 | — | — | |
| SCHEMBL9098582 | 0.66 | TBXAS1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL9096054 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL9046094 | 0.65 | ADORA2A (0.33) | — | |
| SCHEMBL4960018 | 0.64 | — | — |
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 |