⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6684244 | 0.97 | MEN1 (0.39) | — | |
| SCHEMBL347464 | 0.82 | LMNA (0.40) | — | |
| SCHEMBL346747 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL6689578 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL6690289 | 0.77 | KDM4E (0.46) | — | |
| SCHEMBL347313 | 0.77 | LMNA (0.36) | — | |
| Hydrogen Sulfide SCHEMBL17888864 | 0.74 | LMNA (0.35) | — | |
| SCHEMBL346522 | 0.74 | HRH3 (0.39) | — | |
| SCHEMBL12371268 | 0.74 | HRH3 (0.46) | — | |
| SCHEMBL6688091 | 0.74 | HRH3 (0.37) | — |
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-2004069145-A2 | ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2004-08-19 | — | — | WO | disclosed |