⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23519806 | 0.79 | CYP3A4 (0.36) | — | |
| SCHEMBL12948793 | 0.66 | CYP3A4 (0.32) | — | |
| SCHEMBL29295039 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL19848397 | 0.65 | CYP1A2 (0.39) | — | |
| SCHEMBL21991223 | 0.64 | PTPN5 (0.40) | — | |
| SCHEMBL21936720 | 0.64 | — | — | |
| SCHEMBL12473140 | 0.63 | CYP3A4 (0.38) | — | |
| SCHEMBL21937310 | 0.62 | — | — | |
| SCHEMBL21936271 | 0.62 | — | — | |
| SCHEMBL29620249 | 0.62 | ESR1 (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 |
|---|---|---|---|---|---|---|---|
| US-20210179634-A1 | NOVEL BIPHENYL COMPOUND OR SALT THEREOF | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-06-17 | — | — | US | disclosed |