⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL869211 | 1.00 | — | — | |
| SCHEMBL20441214 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5846270 | 0.78 | — | — | |
| SCHEMBL5889443 | 0.76 | — | — | |
| SCHEMBL8604048 | 0.73 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11600315 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4728720 | 0.72 | — | — | |
| SCHEMBL2556849 | 0.71 | — | — | |
| SCHEMBL7725 | 0.71 | — | — | |
| SCHEMBL11658135 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2358643-A1 | NOVEL CHEMISTRIES, SOLUTIONS, AND DISPERSAL SYSTEMS FOR DECONTAMINATION OF CHEMICAL AND BIOLOGICAL SYSTEMS | Conrad, Michael J. (US) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010059459-A1 | NOVEL CHEMISTRIES, SOLUTIONS, AND DISPERSAL SYSTEMS FOR DECONTAMINATION OF CHEMICAL AND BIOLOGICAL SYSTEMS | ARIES ASSOCIATES, INC. (US) | 2010-05-27 | — | — | WO | disclosed |
| EP-1594577-A1 | A PROCESS FOR DESTRUCTION OF GELLED SULPHUR MUSTARD | Defense Research & Development Organisation (IN) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004073800-A1 | A PROCESS FOR DESTRUCTION OF GELLED SULPHUR MUSTARD | DEFENCE RESEARCH & DEVELOPMENT ORGANISATION (IN) | 2004-09-02 | — | — | WO | disclosed |