⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11284822 | 0.76 | — | — | |
| SCHEMBL2095466 | 0.76 | — | — | |
| SCHEMBL4941169 | 0.73 | — | — | |
| SCHEMBL7809742 | 0.73 | — | — | |
| SCHEMBL7809739 | 0.73 | — | — | |
| SCHEMBL13185338 | 0.73 | — | — | |
| SCHEMBL2094157 | 0.73 | — | — | |
| SCHEMBL8535536 | 0.71 | — | — | |
| SCHEMBL4671779 | 0.71 | — | — | |
| SCHEMBL4681496 | 0.70 | TSHR (0.31) | — |
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-2008107321-A1 | HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |