⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL270945 | 0.80 | — | — | |
| Sulfuric Acid SCHEMBL3951699 | 0.80 | ALDH1A1 (0.60) | — | |
| Allylamine SCHEMBL8725000 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL7072530 | 0.78 | ALDH1A1 (0.56) | — | |
| Allylamine SCHEMBL6032547 | 0.78 | — | — | |
| Allylamine SCHEMBL15197 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL6159499 | 0.78 | ALDH1A1 (0.56) | — | |
| Sulfuric Acid SCHEMBL7072523 | 0.78 | ALDH1A1 (0.56) | — | |
| Sulfuric Acid SCHEMBL7733310 | 0.78 | ALDH1A1 (0.56) | — | |
| Sulfamate SCHEMBL4760725 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088925-B2 | low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents | SANOFI-AVENTIS (FR) | 2012-01-03 | — | — | US | disclosed |
| US-20080167346-A1 | low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents | SANOFI-AVENTIS (FR) | 2008-07-10 | — | — | US | disclosed |
| CN-1258294-A | 2-oxoimidazole derivs. | BANYU PHARMA CO LTD (JP) | 2000-06-28 | — | — | CN | disclosed |