⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10373794 | 0.76 | — | — | |
| SCHEMBL9766287 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL27519432 | 0.69 | — | — | |
| SCHEMBL6339136 | 0.68 | MEN1 (0.30) | — | |
| SCHEMBL2362263 | 0.67 | CA2 (0.30) | — | |
| SCHEMBL1840425 | 0.64 | — | — | |
| Bicarbonate SCHEMBL9493268 | 0.64 | CA2 (0.34) | — | |
| SCHEMBL27309827 | 0.63 | GRIN2D (0.33) | — | |
| SCHEMBL8025791 | 0.63 | — | — | |
| Diallylsulfone SCHEMBL14324381 | 0.63 | ALDH1A1 (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4234372-A | — | — | None | — | — | JP | disclosed |
| JP-4234371-A | — | — | None | — | — | JP | disclosed |
| JP-H04234372-A | PRODUCTION OF N-ALKYLSULFONYL AMINOSULFONYL CARBAMIDE | HOECHST AG | 1992-08-24 | — | — | JP | disclosed |
| JP-H04234371-A | PRODUCTION OF N-ALKYLSULFONYL AMINOSULFONYL CARBAMIDE | HOECHST AG | 1992-08-24 | — | — | JP | disclosed |