⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8694345 | 1.00 | — | — | |
| SCHEMBL1117692 | 0.74 | — | — | |
| SCHEMBL30776801 | 0.69 | — | — | |
| Hydrazine SCHEMBL4391026 | 0.65 | — | — | |
| SCHEMBL1117851 | 0.59 | — | — | |
| SCHEMBL1117852 | 0.59 | — | — | |
| SCHEMBL1117824 | 0.58 | HCAR2 (0.30) | — | |
| SCHEMBL3003358 | 0.54 | — | — | |
| Acetic Acid SCHEMBL1246284 | 0.51 | — | — | |
| SCHEMBL7366713 | 0.47 | — | — |
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-5834454-A | TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1998-11-10 | — | — | US | disclosed |