⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11979594 | 0.93 | APP (0.33) | — | |
| Sulfuric Acid SCHEMBL951532 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL11979595 | 0.69 | ALOX15 (0.34) | — | |
| SCHEMBL1272671 | 0.68 | — | — | |
| SCHEMBL11979591 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL6261696 | 0.65 | RELA (0.40) | — | |
| SCHEMBL2893660 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL1395542 | 0.63 | PTPN1 (0.39) | — | |
| SCHEMBL7912920 | 0.63 | FAAH (0.41) | — | |
| SCHEMBL11979593 | 0.62 | APP (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150266814-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2015-09-24 | — | — | US | disclosed |
| US-20150266814-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2015-09-24 | — | — | US | disclosed |
| US-9051248-B2 | Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid | BHI LIMITED PARTNERSHIP (CA) | 2015-06-09 | — | — | US | disclosed |
| US-9051248-B2 | Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid | BHI LIMITED PARTNERSHIP (CA) | 2015-06-09 | — | — | US | disclosed |
| US-20120208850-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH INC. (CA) | 2012-08-16 | — | — | US | disclosed |
| US-20120208850-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH INC. (CA) | 2012-08-16 | — | — | US | disclosed |
| WO-2011017800-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2011-02-17 | — | — | WO | disclosed |