⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9819121 | 0.84 | POLB (0.42) | — | |
| SCHEMBL27781025 | 0.81 | — | — | |
| SCHEMBL1551057 | 0.79 | — | — | |
| SCHEMBL18649055 | 0.72 | POLB (0.35) | — | |
| SCHEMBL10750646 | 0.72 | POLB (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL10748205 | 0.72 | POLB (0.40) | — | |
| SCHEMBL27384928 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL942983 | 0.71 | L3MBTL1 (0.43) | — | |
| Zinc Chloride SCHEMBL27296265 | 0.70 | IDO1 (0.39) | — | |
| SCHEMBL8083209 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4068052-A | Reducing PVC polymer buildup in polymerization reactors with dithioxamides and alumina | CONTINENTAL OIL COMPANY (US) | 1978-01-10 | — | — | US | claimed |
| EP-0434213-B1 | Monosubstituted dithiooxamide compounds and their use | MINNESOTA MINING & MFG (US) | 1995-04-05 | — | — | EP | disclosed |
| US-5124308-A | Reacts with transition metal salt for carbonless paper copying | MINNESOTA MINING AND MANUFACTURING COMPANY | 1992-06-23 | — | — | US | disclosed |
| US-5041654-A | Transamination in wallach reaction; controlling temperature; reactant amine concentration | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-08-20 | — | — | US | disclosed |
| EP-0434213-A1 | Monosubstituted dithiooxamide compounds and their use | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-06-26 | — | — | EP | disclosed |
| EP-0431783-A1 | Preparation of monosubstituted dithiooxamide compounds | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-06-12 | — | — | EP | disclosed |