⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6709457 | 0.80 | MEN1 (0.33) | — | |
| SCHEMBL457712 | 0.78 | — | — | |
| SCHEMBL2014869 | 0.77 | — | — | |
| SCHEMBL18166881 | 0.76 | — | — | |
| SCHEMBL10437267 | 0.76 | — | — | |
| SCHEMBL11512776 | 0.76 | — | — | |
| SCHEMBL6113068 | 0.74 | TP53 (0.45) | — | |
| Hydrochloric Acid SCHEMBL11367357 | 0.74 | TP53 (0.35) | — | |
| SCHEMBL28094369 | 0.72 | — | — | |
| SCHEMBL21455304 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023060173-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF USE | AQUINNAH PHARMACEUTICALS, INC. (US) | 2023-04-13 | — | — | WO | disclosed |
| CN-109415355-A | Benzdioxan derivative and its medicinal usage | 奥赖恩公司 | 2019-03-01 | — | — | CN | disclosed |
| US-4287342-A | 2,4,6-Trihalo-5-alkyl-and 5-alkenylsulphonylpyrimidines | CIBA-GEIGY CORPORATION (US) | 1981-09-01 | — | — | US | disclosed |
| US-4283331-A | FIBER-REACTIVE DYES | CIBA-GEIGY CORPORATION (US) | 1981-08-11 | — | — | US | disclosed |
| US-4265633-A | Process for the manufacture of vat dyes | CIBA-GEIGY AG (CH) | 1981-05-05 | — | — | US | disclosed |
| US-4243809-A | 5-SULFONYL-6-HYDROXYPYRIDONES OR THE 3-CARBAMOYL DERIVATIVES; SULFONYLATION WITH AN ALKYL SULFONYL HALIDE | CIBA-GEIGY CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |
| US-4188483-A | 5-Alkylsulphonyl- and 5-alkenylsulphonylbarbituric acids and derivatives thereof | CIBA-GEIGY CORPORATION (US) | 1980-02-12 | — | — | US | disclosed |