⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL488914 | 0.77 | CYP2A6 (0.44) | — | |
| SCHEMBL2987725 | 0.75 | — | — | |
| SCHEMBL4123832 | 0.73 | MAOA (0.64) | — | |
| SCHEMBL224947 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL3411276 | 0.73 | MAOA (0.64) | — | |
| SCHEMBL9338177 | 0.71 | — | — | |
| Water SCHEMBL28293836 | 0.71 | CYP2A6 (0.53) | — | |
| SCHEMBL18508 | 0.71 | — | — | |
| SCHEMBL9418077 | 0.69 | MAPK1 (0.74) | — | |
| SCHEMBL21088432 | 0.69 | TRPA1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-121574323-A | Dibenzothiophene sulfonyl covalent organic framework material and application thereof in thiadiazole and derivative photocatalytic synthesis | 三峡大学 | 2026-02-27 | — | — | CN | disclosed |
| CN-119504329-A | Axial chiral sulfilimine compound and preparation method and application thereof | 安徽农业大学 | 2025-02-25 | — | — | CN | disclosed |
| CN-116715639-A | O-phenylenediamine and hydrazide-based targeting HDAC/PD-L1 bifunctional molecule synthesis and application thereof | 南方医科大学 | 2023-09-08 | — | — | CN | disclosed |
| WO-2016041877-A1 | METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS | MEDIVIR AB (SE) | 2016-03-24 | — | — | WO | disclosed |