⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14455064 | 0.73 | — | — | |
| SCHEMBL23669404 | 0.73 | — | — | |
| SCHEMBL282940 | 0.73 | — | — | |
| SCHEMBL1067391 | 0.71 | — | — | |
| SCHEMBL8565462 | 0.70 | — | — | |
| SCHEMBL23494282 | 0.70 | — | — | |
| Propane SCHEMBL10578028 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL2492450 | 0.70 | — | — | |
| Hydrogen Sulfide SCHEMBL5675239 | 0.70 | — | — | |
| SCHEMBL910752 | 0.69 | — | — |
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-4032559-A | PICKLING INHIBITORS, HYPOTENSIVE, SALTS OF MOTHPROOFING AGENTS | THE UPJOHN COMPANY (US) | 1977-06-28 | — | — | US | disclosed |