⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14889352 | 0.75 | — | — | |
| SCHEMBL10873240 | 0.74 | — | — | |
| SCHEMBL27726377 | 0.72 | — | — | |
| Diallylsulfone SCHEMBL9947 | 0.72 | — | — | |
| SCHEMBL780195 | 0.71 | — | — | |
| SCHEMBL18949240 | 0.71 | — | — | |
| SCHEMBL6339136 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL6528896 | 0.70 | KDM4E (0.36) | — | |
| Diallylsulfone SCHEMBL17707262 | 0.69 | CA2 (0.31) | — | |
| Diallylsulfone SCHEMBL9518459 | 0.69 | CA2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110218167-B | N, N-dimethyl aryl sulfonamide derivative and application thereof in preventing and treating meloidogyne incognita | 河南科技大学 | 2021-09-24 | — | — | CN | disclosed |