⚠ 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9047554 | 0.91 | — | — | |
| SCHEMBL9047746 | 0.74 | L3MBTL1 (0.37) | — | |
| SCHEMBL9047634 | 0.74 | DRD3 (0.35) | — | |
| SCHEMBL9047118 | 0.73 | — | — | |
| SCHEMBL9048002 | 0.71 | HRH4 (0.35) | — | |
| SCHEMBL9048189 | 0.70 | — | — | |
| SCHEMBL9047232 | 0.69 | RAB9A (0.31) | — | |
| SCHEMBL9097631 | 0.69 | CYP2C9 (0.32) | — | |
| SCHEMBL4452676 | 0.69 | — | — | |
| SCHEMBL9045856 | 0.69 | — | — |
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 |