⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31315650 | 0.98 | — | — | |
| SCHEMBL11829929 | 0.77 | — | — | |
| SCHEMBL9161224 | 0.75 | — | — | |
| SCHEMBL11832631 | 0.75 | HIF1A (0.32) | — | |
| SCHEMBL7310056 | 0.73 | — | — | |
| SCHEMBL27260136 | 0.66 | — | — | |
| SCHEMBL27259949 | 0.66 | — | — | |
| SCHEMBL18834743 | 0.66 | — | — | |
| SCHEMBL9166500 | 0.66 | — | — | |
| SCHEMBL15095831 | 0.66 | — | — |
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-3985754-A | Para-fluorobenzoylpropyl-N-heterocyclic substituted quaternary salts | AMERICAN CYANAMID COMPANY (US) | 1976-10-12 | — | — | US | disclosed |