⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9467181 | 0.93 | AGTR1 (0.39) | — | |
| SCHEMBL9468519 | 0.90 | PTGDR2 (0.36) | — | |
| SCHEMBL9468626 | 0.90 | PTGDR2 (0.33) | — | |
| SCHEMBL9468173 | 0.89 | AGTR1 (0.40) | — | |
| SCHEMBL9468521 | 0.88 | AGTR1 (0.33) | — | |
| SCHEMBL9468038 | 0.85 | PTGDR2 (0.36) | — | |
| SCHEMBL9468065 | 0.83 | AGTR1 (0.43) | — | |
| SCHEMBL9468567 | 0.80 | PTGDR2 (0.37) | — | |
| SCHEMBL9706701 | 0.79 | PTGDR2 (0.41) | — | |
| SCHEMBL9468179 | 0.79 | PTGDR2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5252593-A | Hypotensive agents, cognition activators | GLAXO GROUP LIMITED (GB) | 1993-10-12 | — | — | US | disclosed |
| US-5187174-A | Biological antigrowth agents | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1993-02-16 | — | — | US | disclosed |