⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1797127 | 0.83 | OPRK1 (0.45) | — | |
| SCHEMBL46655 | 0.81 | — | — | |
| SCHEMBL14274043 | 0.79 | OPRK1 (0.43) | — | |
| SCHEMBL5127427 | 0.79 | — | — | |
| SCHEMBL18065737 | 0.79 | — | — | |
| SCHEMBL13661117 | 0.78 | OPRK1 (0.42) | — | |
| SCHEMBL3396713 | 0.77 | OPRK1 (0.46) | — | |
| SCHEMBL13734058 | 0.77 | FDPS (0.49) | — | |
| SCHEMBL9963370 | 0.76 | OPRK1 (0.55) | — | |
| SCHEMBL20230 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10968218-B2 | Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection | HOFFMANN-LA ROCHE INC. (US) | 2021-04-06 | — | — | US | disclosed |
| EP-3535261-B1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2020-08-05 | — | — | EP | disclosed |
| US-20200062748-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2020-02-27 | — | — | US | disclosed |