⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15903546 | 0.75 | — | — | |
| SCHEMBL29564692 | 0.73 | — | — | |
| SCHEMBL15903796 | 0.72 | — | — | |
| SCHEMBL9940809 | 0.69 | PRKDC (0.32) | — | |
| SCHEMBL19972847 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL19972849 | 0.64 | KMT2A (0.34) | — | |
| SCHEMBL30813040 | 0.62 | — | — | |
| SCHEMBL9941388 | 0.61 | KDM4E (0.30) | — | |
| SCHEMBL9941447 | 0.61 | CCR1 (0.34) | — | |
| SCHEMBL15526804 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4171600-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A COMBINATION OF A GUANYLATE CYCLASE C (GUCY2C) AGONIST AND A SHORT-CHAIN FATTY ACID OR PRODRUG THEREOF | OCVIRK, Sören (DE) | 2023-05-03 | — | — | EP | claimed |
| EP-4171600-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A COMBINATION OF A GUANYLATE CYCLASE C (GUCY2C) AGONIST AND A SHORT-CHAIN FATTY ACID OR PRODRUG THEREOF | OCVIRK, Sören (DE) | 2023-05-03 | — | — | EP | disclosed |
| EP-4121437-A1 | PRODRUGS OF 4'-C-SUBSTITUTED-2-HALO-2'-DEOXYADENOSINE NUCLEOSIDES AND METHODS OF MAKING AND USING THE SAME | GILEAD SCIENCES, INC. (US) | 2023-01-25 | — | — | EP | disclosed |
| EP-3947712-A1 | INTESTINAL BIOMARKERS FOR GUT HEALTH IN DOMESTICATED BIRDS | DuPont Nutrition Biosciences ApS (DK) | 2022-02-09 | — | — | EP | disclosed |