⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22069378 | 0.87 | — | — | |
| SCHEMBL22069209 | 0.75 | DPP4 (0.30) | — | |
| SCHEMBL22069383 | 0.73 | — | — | |
| SCHEMBL22718842 | 0.70 | — | — | |
| SCHEMBL17870542 | 0.68 | MTHFD2 (0.30) | — | |
| SCHEMBL14861241 | 0.65 | POLB (0.39) | — | |
| SCHEMBL17868657 | 0.65 | MTHFD2 (0.34) | — | |
| SCHEMBL28681596 | 0.65 | ALOX15 (0.32) | — | |
| SCHEMBL22069253 | 0.65 | HPGD (0.36) | — | |
| SCHEMBL17868640 | 0.64 | SPTLC1 (0.33) | — |
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-3478692-B1 | OXADIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS | NOVIRA THERAPEUTICS INC (US) | 2020-06-17 | — | — | EP | disclosed |