⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21936193 | 0.88 | IL1B (0.32) | — | |
| SCHEMBL25687481 | 0.84 | — | — | |
| SCHEMBL25687281 | 0.83 | — | — | |
| SCHEMBL21872848 | 0.77 | — | — | |
| SCHEMBL21872458 | 0.76 | NUDT1 (0.38) | — | |
| SCHEMBL21872420 | 0.75 | — | — | |
| SCHEMBL21872814 | 0.75 | IL1B (0.32) | — | |
| SCHEMBL24900937 | 0.74 | — | — | |
| SCHEMBL21872606 | 0.73 | NUDT1 (0.33) | — | |
| SCHEMBL21936204 | 0.73 | IL1B (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-3632897-A1 | NOVEL BIPHENYL COMPOUND OR SALT THEREOF | Taiho Pharmaceutical Co., Ltd. (JP) | 2020-04-08 | — | — | EP | disclosed |