⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25411846 | 1.00 | — | — | |
| SCHEMBL25411841 | 1.00 | — | — | |
| SCHEMBL12657760 | 1.00 | — | — | |
| SCHEMBL25412145 | 0.79 | — | — | |
| SCHEMBL25412146 | 0.79 | — | — | |
| SCHEMBL25412141 | 0.79 | — | — | |
| SCHEMBL4652277 | 0.74 | ABCB1 (0.32) | — | |
| SCHEMBL8923368 | 0.71 | — | — | |
| SCHEMBL25408926 | 0.68 | KDM4E (0.41) | — | |
| SCHEMBL24569208 | 0.68 | KDM4E (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023172726-A1 | NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE | BARUCH S. BLUMBERG INSTITUTE (US) | 2023-09-14 | — | — | WO | disclosed |