⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8906566 | 0.96 | TAS2R8 (0.33) | — | |
| SCHEMBL8906602 | 0.94 | TAS2R8 (0.34) | — | |
| SCHEMBL8907406 | 0.88 | LMNA (0.33) | — | |
| SCHEMBL8905606 | 0.87 | — | — | |
| SCHEMBL8905232 | 0.87 | — | — | |
| SCHEMBL8905649 | 0.85 | AGT (0.41) | — | |
| SCHEMBL8906951 | 0.84 | AGTR1 (0.39) | — | |
| SCHEMBL9096036 | 0.82 | AGTR1 (0.46) | — | |
| SCHEMBL8906546 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL8906471 | 0.81 | AGTR1 (0.43) | — |
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 |