⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20034631 | 0.74 | HTT (0.31) | — | |
| SCHEMBL21210802 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL20034723 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL11391583 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL18709587 | 0.66 | — | — | |
| SCHEMBL18709590 | 0.62 | — | — | |
| SCHEMBL19115186 | 0.59 | — | — | |
| SCHEMBL8138680 | 0.59 | — | — | |
| SCHEMBL777983 | 0.59 | — | — | |
| SCHEMBL777984 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9938301-B2 | Dihydropyrimido fused ring derivative as HBV inhibitor | QILU PHARMACEUTICAL CO., LTD. (CN) | 2018-04-10 | — | — | US | disclosed |
| US-20170197986-A1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | MEDSHINE DISCOVERY INC. (CN) | 2017-07-13 | — | — | US | disclosed |