⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21872420 | 0.76 | — | — | |
| SCHEMBL21872459 | 0.74 | — | — | |
| SCHEMBL24900934 | 0.74 | — | — | |
| SCHEMBL21872399 | 0.74 | — | — | |
| SCHEMBL21872491 | 0.73 | IL1B (0.34) | — | |
| SCHEMBL21872806 | 0.70 | — | — | |
| SCHEMBL12181242 | 0.61 | CYP3A4 (0.37) | — | |
| SCHEMBL16487357 | 0.59 | ATG4B (0.33) | — | |
| SCHEMBL21872560 | 0.58 | KCNH2 (0.33) | — | |
| SCHEMBL25676804 | 0.58 | BRD4 (0.37) | — |
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 |