⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30087321 | 0.79 | CTSA (0.32) | — | |
| SCHEMBL4344144 | 0.79 | CTSA (0.32) | — | |
| SCHEMBL466568 | 0.76 | CTSA (0.33) | — | |
| Soman SCHEMBL3796733 | 0.75 | CTSA (0.40) | — | |
| SCHEMBL29385539 | 0.75 | — | — | |
| SCHEMBL322612 | 0.75 | CA2 (0.33) | — | |
| Soman SCHEMBL16218373 | 0.75 | CTSA (0.40) | — | |
| Soman SCHEMBL59654 | 0.75 | CTSA (0.40) | — | |
| SCHEMBL12305470 | 0.75 | CTSA (0.35) | — | |
| Soman SCHEMBL30121116 | 0.73 | CTSA (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6852903-B1 | Decontamination of chemical warfare agents using a reactive sorbent | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2005-02-08 | — | — | US | claimed |
| EP-4340986-A1 | ADSORBENT MATERIAL | Heathcoat Fabrics Limited (GB) | 2024-03-27 | — | — | EP | disclosed |
| US-9907988-B1 | Porous metal hydroxides for decontaminating toxic agents | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2018-03-06 | — | — | US | disclosed |
| US-8877677-B1 | Filtration media and process for the removal of hazardous materials from air streams | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2014-11-04 | — | — | US | disclosed |
| US-6852903-B1 | Decontamination of chemical warfare agents using a reactive sorbent | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2005-02-08 | — | — | US | disclosed |