⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8907093 | 0.97 | — | — | |
| SCHEMBL8905781 | 0.88 | — | — | |
| SCHEMBL8907099 | 0.86 | — | — | |
| SCHEMBL8905465 | 0.85 | — | — | |
| SCHEMBL8906067 | 0.85 | PLK1 (0.31) | — | |
| SCHEMBL8906938 | 0.84 | AGTR1 (0.32) | — | |
| SCHEMBL8906964 | 0.83 | AGTR1 (0.31) | — | |
| SCHEMBL8906659 | 0.83 | PPARG (0.37) | — | |
| SCHEMBL8907815 | 0.82 | CYP1A2 (0.32) | — | |
| SCHEMBL8905804 | 0.80 | KDM4E (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5684029-A | HYPOTENSIVE AGENTS | KARL THOMAE GMBH (DE) | 1997-11-04 | — | — | US | disclosed |