⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78077 | 0.89 | — | — | |
| Acetic Acid SCHEMBL16322315 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL27583933 | 0.85 | — | — | |
| Iodide SCHEMBL916721 | 0.85 | — | — | |
| Bromide SCHEMBL10831404 | 0.85 | — | — | |
| Methyl Alcohol SCHEMBL28162078 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4633139 | 0.85 | — | — | |
| Bromide SCHEMBL27962443 | 0.81 | — | — | |
| Iodide SCHEMBL11696034 | 0.81 | — | — | |
| Sulfurous Acid SCHEMBL25206600 | 0.80 | — | — |
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-1679952-A | Anticarcinogenic medicine composition | LANJIN BIOLOG ENGINEERING CO L (CN) | 2005-10-12 | — | — | CN | disclosed |