⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5570484 | 0.75 | — | — | |
| Bicarbonate SCHEMBL31496486 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL1100317 | 0.69 | — | — | |
| SCHEMBL15632758 | 0.67 | — | — | |
| SCHEMBL6552793 | 0.67 | — | — | |
| SCHEMBL6960246 | 0.65 | — | — | |
| SCHEMBL15234346 | 0.65 | PAM (0.36) | — | |
| Methoxyacetic Acid SCHEMBL27704436 | 0.63 | — | — | |
| SCHEMBL6847839 | 0.63 | — | — | |
| SCHEMBL4159095 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3114128-B1 | NOVEL 6-FUSED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2019-01-02 | — | — | EP | claimed |
| EP-1347780-B1 | COMPOSITIONS OF N-(METHYLETHYLAMINOCARBONYL)-4-(3-METHYLPHENYLAMINO)-3-PYRIDYLSULFONAMIDE AND CYCLIC OLIGOSACCHARIDES | PLIVA PHARM & CHEM WORKS (HR) | 2007-01-03 | — | — | EP | claimed |