⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13679880 | 0.75 | — | — | |
| SCHEMBL8977443 | 0.75 | — | — | |
| SCHEMBL13715103 | 0.71 | — | — | |
| SCHEMBL6865407 | 0.71 | MCL1 (0.34) | — | |
| SCHEMBL4827579 | 0.71 | TLR4 (0.33) | — | |
| SCHEMBL11549100 | 0.69 | — | — | |
| SCHEMBL12163091 | 0.69 | — | — | |
| SCHEMBL13146342 | 0.69 | — | — | |
| SCHEMBL13967466 | 0.69 | — | — | |
| SCHEMBL107487 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108191764-B | Synthesis method of 1, 3-diaryl-1, 5,6, 7-tetrahydroindazole derivative | 扬州大学 | 2021-04-16 | — | — | CN | disclosed |