⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9025044 | 0.72 | — | — | |
| SCHEMBL14985723 | 0.72 | — | — | |
| SCHEMBL11844436 | 0.70 | — | — | |
| SCHEMBL21475741 | 0.70 | — | — | |
| SCHEMBL15507635 | 0.70 | — | — | |
| SCHEMBL9025036 | 0.70 | — | — | |
| SCHEMBL8531216 | 0.70 | — | — | |
| SCHEMBL19369809 | 0.69 | FDPS (0.32) | — | |
| SCHEMBL15746222 | 0.67 | — | — | |
| SCHEMBL21916568 | 0.67 | DPP4 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2892893-B1 | 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2016-12-21 | — | — | EP | disclosed |