⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8667210 | 1.00 | — | — | |
| SCHEMBL8665294 | 0.92 | PDE5A (0.38) | — | |
| SCHEMBL8665296 | 0.92 | PDE5A (0.38) | — | |
| SCHEMBL8663749 | 0.89 | — | — | |
| SCHEMBL8663750 | 0.89 | — | — | |
| SCHEMBL8663100 | 0.87 | SLC9A1 (0.36) | — | |
| SCHEMBL8663101 | 0.87 | SLC9A1 (0.36) | — | |
| SCHEMBL8668750 | 0.85 | SLC9A1 (0.30) | — | |
| SCHEMBL8668752 | 0.85 | SLC9A1 (0.30) | — | |
| SCHEMBL7803094 | 0.82 | SLC9A1 (0.49) | — |
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-5731351-A | Alkenyl-benzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-24 | — | — | US | disclosed |