⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17753497 | 0.82 | — | — | |
| SCHEMBL16150132 | 0.77 | KMT2A (0.53) | — | |
| SCHEMBL15086383 | 0.76 | — | — | |
| SCHEMBL16501026 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL4406961 | 0.75 | — | — | |
| SCHEMBL27878537 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL1003266 | 0.75 | — | — | |
| SCHEMBL28215548 | 0.74 | LDHA (0.35) | — | |
| SCHEMBL7693105 | 0.74 | TDP1 (0.50) | — | |
| SCHEMBL2183252 | 0.73 | — | — |
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-1876028-A | Pharmaceutical preparation for treating coronary heart disease, its preparation process and quality control method | GUIYANG YUNYAN XICHUANG PHARM (CN) | 2006-12-13 | — | — | CN | disclosed |