⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29127577 | 0.80 | — | — | |
| SCHEMBL28570049 | 0.78 | HSD11B1 (0.33) | — | |
| SCHEMBL4921470 | 0.78 | — | — | |
| SCHEMBL9602172 | 0.76 | — | — | |
| SCHEMBL28862334 | 0.76 | — | — | |
| SCHEMBL28434159 | 0.72 | — | — | |
| SCHEMBL15894640 | 0.68 | — | — | |
| SCHEMBL13862475 | 0.67 | — | — | |
| Acetonitrile SCHEMBL30540156 | 0.66 | — | — | |
| SCHEMBL13821775 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116836183-A | Tribenzodithiazide imide derivative, preparation method and application | 大连理工大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-116375736-A | Naphthol dioxazine imide compound and preparation method thereof | 大连理工大学 | 2023-07-04 | — | — | CN | disclosed |
| CN-112608207-A | Preparation of 4, 6-dimethyl-2-mercaptopyrimidine divalent nickel complexα-Use in alkyl ketones | 亳州学院 | 2021-04-06 | — | — | CN | disclosed |