⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23788412 | 0.92 | REN (0.31) | — | |
| SCHEMBL23788627 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL23788411 | 0.91 | REN (0.31) | — | |
| SCHEMBL23788634 | 0.91 | CYP2B6 (0.32) | — | |
| SCHEMBL23788304 | 0.91 | CYP2B6 (0.32) | — | |
| SCHEMBL23788409 | 0.82 | HSP90AA1 (0.33) | — | |
| SCHEMBL23788620 | 0.80 | CYP2B6 (0.30) | — | |
| SCHEMBL23788602 | 0.78 | KDR (0.30) | — | |
| SCHEMBL23788471 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL23788642 | 0.74 | CYP2B6 (0.32) | — |
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-3720857-B1 | 2-OXO-5H-CHROMENO[4,3-B]PYRIDINES FOR USE IN THE TREATMENT OF HEPATITIS B | GALAPAGOS NV (BE) | 2021-09-08 | — | — | EP | disclosed |