⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8392720 | 0.99 | PTGS2 (0.30) | — | |
| SCHEMBL8389243 | 0.99 | PTGS2 (0.30) | — | |
| SCHEMBL8340257 | 0.99 | PTGS2 (0.30) | — | |
| SCHEMBL8339687 | 0.97 | — | — | |
| SCHEMBL8389974 | 0.89 | BCHE (0.31) | — | |
| SCHEMBL8340153 | 0.88 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL8336974 | 0.87 | SMPD1 (0.34) | — | |
| SCHEMBL8335988 | 0.87 | SMPD1 (0.34) | — | |
| SCHEMBL8334645 | 0.87 | SMPD1 (0.34) | — | |
| SCHEMBL8339753 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5977177-A | Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-11-02 | — | — | US | disclosed |
| US-5880155-A | TREATMENT OF CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-03-09 | — | — | US | disclosed |