⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29587104 | 0.93 | PDGFRB (0.58) | — | |
| SCHEMBL21326011 | 0.93 | PDGFRB (0.58) | — | |
| SCHEMBL29586968 | 0.93 | — | — | |
| SCHEMBL17893691 | 0.85 | HSP90AB1 (0.49) | — | |
| SCHEMBL22295251 | 0.85 | HSP90AB1 (0.54) | — | |
| SCHEMBL21326025 | 0.85 | HSP90AB1 (0.68) | — | |
| SCHEMBL21325974 | 0.85 | HSP90AB1 (0.68) | — | |
| SCHEMBL29587216 | 0.85 | HSP90AB1 (0.68) | — | |
| SCHEMBL29586646 | 0.85 | HSP90AB1 (0.68) | — | |
| SCHEMBL21325971 | 0.84 | HSP90AB1 (0.56) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110088103-B | Novel tetrahydropyridopyrimidine compounds for the treatment and prophylaxis of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2022-04-12 | — | — | CN | disclosed |
| US-10968217-B2 | Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection | HOFFMANN-LA ROCHE INC. (US) | 2021-04-06 | — | — | US | disclosed |
| EP-3240537-B1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2020-09-09 | — | — | EP | disclosed |
| US-20200062747-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2020-02-27 | — | — | US | disclosed |
| US-10196391-B2 | Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection | HOFFMANN-LA ROCHE INC. (US) | 2019-02-05 | — | — | US | disclosed |
| EP-3240537-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2017-11-08 | — | — | EP | disclosed |
| US-20170298067-A1 | NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2017-10-19 | — | — | US | disclosed |
| WO-2016107832-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-07 | — | — | WO | disclosed |