⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194856 | 0.79 | — | — | |
| SCHEMBL28084021 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28032436 | 0.75 | — | — | |
| SCHEMBL27881755 | 0.75 | — | — | |
| SCHEMBL28021099 | 0.75 | — | — | |
| SCHEMBL28155356 | 0.75 | — | — | |
| Water SCHEMBL28181195 | 0.75 | — | — | |
| SCHEMBL27969157 | 0.75 | — | — | |
| Benzene SCHEMBL2295857 | 0.67 | — | — | |
| Benzene SCHEMBL30314930 | 0.67 | ALDH1A1 (0.35) | — |
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-1845733-A | TGF-beta gene expression inhibitors | UNIV NIHON (JP) | 2006-10-11 | — | — | CN | disclosed |