⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17664699 | 0.79 | — | — | |
| SCHEMBL198211 | 0.72 | — | — | |
| SCHEMBL21116421 | 0.70 | — | — | |
| SCHEMBL10477942 | 0.69 | — | — | |
| SCHEMBL21256206 | 0.67 | — | — | |
| SCHEMBL325100 | 0.67 | — | — | |
| SCHEMBL194139 | 0.65 | — | — | |
| SCHEMBL11331447 | 0.65 | — | — | |
| SCHEMBL10425917 | 0.63 | FDPS (0.31) | — | |
| SCHEMBL15333 | 0.63 | — | — |
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-2019180646-A1 | NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | YUHAN CORPORATION (KR) | 2019-09-26 | — | — | WO | disclosed |