⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4018433 | 0.98 | LPO (0.40) | — | |
| SCHEMBL14472618 | 0.80 | — | — | |
| SCHEMBL24386984 | 0.78 | — | — | |
| SCHEMBL284637 | 0.78 | — | — | |
| Iodide SCHEMBL5464242 | 0.77 | NAMPT (0.44) | — | |
| Lithium SCHEMBL31348018 | 0.77 | NAMPT (0.44) | — | |
| SCHEMBL3079431 | 0.76 | — | — | |
| SCHEMBL6877301 | 0.75 | LPO (0.39) | — | |
| SCHEMBL6877309 | 0.75 | NAMPT (0.40) | — | |
| SCHEMBL6877305 | 0.75 | LPO (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230083012-A1 | DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) | 2023-03-16 | — | — | US | disclosed |
| 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 |