⚠ 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL10621729 | 0.87 | TSHR (0.35) | — | |
| SCHEMBL124341 | 0.86 | ALDH1A1 (0.41) | — | |
| SCHEMBL10621719 | 0.82 | GLA (0.33) | — | |
| Sulfuric Acid SCHEMBL27755738 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL27660438 | 0.80 | MGAM (0.33) | — | |
| SCHEMBL25006073 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL3710659 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL16787359 | 0.79 | — | — | |
| SCHEMBL4013444 | 0.77 | ALDH1A1 (0.56) | — | |
| SCHEMBL22026738 | 0.77 | TSHR (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103432091-A | Improved-performance tablet and preparation method thereof | ZHONG SHUGUANG | 2013-12-11 | — | — | CN | claimed |
| US-12496262-B2 | Jammed emulsion toothpaste compositions | THE PROCTER & GAMBLE COMPANY (US) | 2025-12-16 | — | — | US | disclosed |
| US-20220304919-A1 | Edible Oral Compositions Comprising Hops | THE PROCTER & GAMBLE COMPANY | 2022-09-29 | — | — | US | disclosed |
| CN-113056465-A | Tetrahydropyran (THP) -substituted bicyclic pyrimidinedione compounds | 迈奥卡迪亚公司 | 2021-06-29 | — | — | CN | disclosed |
| WO-2001092208-A1 | METAL-CATALYSED CARBOXYMETHYLATION IN THE PRESENCE OF A PROMOTER | MONSANTO TECHNOLOGY LLC (US) | 2001-12-06 | — | — | WO | disclosed |