⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11400304 | 0.81 | CYP2C9 (0.52) | — | |
| SCHEMBL229283 | 0.81 | — | — | |
| SCHEMBL30243917 | 0.77 | — | — | |
| SCHEMBL709969 | 0.76 | — | — | |
| SCHEMBL24493253 | 0.75 | — | — | |
| SCHEMBL1336037 | 0.75 | LOX (0.60) | — | |
| Hydrochloric Acid SCHEMBL28533417 | 0.73 | LOX (0.58) | — | |
| SCHEMBL329263 | 0.73 | — | — | |
| SCHEMBL878312 | 0.73 | CYP2D6 (0.53) | — | |
| SCHEMBL11395620 | 0.72 | MEN1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5140026-A | N-aminoalkyl-S-aryl-S-alkyl (or substituted alkyl) sulfoximines as antiarrhythmic agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-08-18 | — | — | US | disclosed |