⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33803 | 0.95 | — | — | |
| SCHEMBL8346547 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9326311 | 0.91 | — | — | |
| Bromide SCHEMBL9325451 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9326011 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL15865146 | 0.91 | — | — | |
| Iodide SCHEMBL9744545 | 0.87 | — | — | |
| SCHEMBL10491530 | 0.84 | TP53 (0.46) | — | |
| Propane SCHEMBL11669914 | 0.84 | — | — | |
| SCHEMBL10411915 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3532586-B1 | DISINFECTANT CLEANING COMPOSITION WITH QUATERNARY AMMONIUM HYDROXYCARBOXYLATE SALT | JOHNSON & SON INC S C (US) | 2022-05-18 | — | — | EP | claimed |