⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6417836 | 0.91 | — | — | |
| SCHEMBL440185 | 0.91 | — | — | |
| SCHEMBL312887 | 0.71 | — | — | |
| Bicarbonate SCHEMBL23700071 | 0.68 | CA1 (0.56) | — | |
| SCHEMBL11802329 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL5685003 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL5685010 | 0.61 | — | — | |
| SCHEMBL43387 | 0.61 | — | — | |
| SCHEMBL1036957 | 0.58 | — | — | |
| SCHEMBL1036226 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6207073-B1 | COMPRISING A METAL, A SULFUR-CONTAINING COMPOUND, AND AN ALCOHOL | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ENVIRONMENTAL PROTECTION AGENCY | 2001-03-27 | — | — | US | disclosed |
| US-6039882-A | REACTING ORGANIC CONTAMINANTS SUCH AS HALOHYDROCARBONS WITH AN ALCOHOL, ELEMENTAL IRON AND A SULFIDE-CONTAINING COMPOUND TO CAUSE A CHEMICAL REDUCTION; PRODUCES HYDROGEN, NITROGEN, METHANE, ETHANE, ETHYLENE, AND ETHYNE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENVIRONMENTAL PROTECTION AGENCY (US) | 2000-03-21 | — | — | US | disclosed |