⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2557557 | 0.74 | CNR1 (0.35) | — | |
| SCHEMBL2563515 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL2559810 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL28807896 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL1299495 | 0.65 | OPRK1 (0.35) | — | |
| SCHEMBL15383931 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL27541668 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL28258733 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27491495 | 0.64 | CXCR4 (0.34) | — | |
| SCHEMBL13994587 | 0.62 | — | — |
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-B2 | 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2019-10-16 | — | — | EP | disclosed |