⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28650625 | 1.00 | — | — | |
| SCHEMBL13481775 | 0.93 | — | — | |
| SCHEMBL19651 | 0.93 | — | — | |
| SCHEMBL11671915 | 0.93 | — | — | |
| Hydrogen Sulfide SCHEMBL11457976 | 0.86 | — | — | |
| SCHEMBL8462651 | 0.86 | — | — | |
| Ethylene SCHEMBL5747488 | 0.86 | — | — | |
| Water SCHEMBL2053900 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL822278 | 0.86 | — | — | |
| Charcoal, Activated SCHEMBL9473714 | 0.86 | — | — |
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-5409877-A | Two or more catalytic metal components on silica gel support | DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1995-04-25 | — | — | US | disclosed |