⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12398342 | 0.69 | — | — | |
| SCHEMBL13889209 | 0.56 | MGAM (0.35) | — | |
| SCHEMBL4357637 | 0.56 | — | — | |
| SCHEMBL11536468 | 0.48 | — | — | |
| SCHEMBL13270768 | 0.48 | — | — | |
| Propane SCHEMBL10555844 | 0.44 | — | — | |
| Propane SCHEMBL9551184 | 0.44 | — | — | |
| SCHEMBL27685562 | 0.44 | — | — | |
| SCHEMBL15390900 | 0.44 | — | — | |
| SCHEMBL179721 | 0.44 | — | — |
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-2997032-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184328-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-20 | — | — | WO | disclosed |