⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1333163 | 0.80 | — | — | |
| SCHEMBL1323119 | 0.78 | GABRR1 (0.39) | — | |
| SCHEMBL1146128 | 0.77 | — | — | |
| SCHEMBL1323117 | 0.76 | GABRR1 (0.37) | — | |
| Sulfuric Acid SCHEMBL9751462 | 0.75 | GABRR1 (0.46) | — | |
| SCHEMBL9329151 | 0.72 | GABRR1 (0.34) | — | |
| SCHEMBL9329907 | 0.71 | GABRR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL10651834 | 0.71 | GABRR1 (0.33) | — | |
| SCHEMBL22148193 | 0.71 | — | — | |
| SCHEMBL10776543 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5612339-A | BACTERICIDES OR ANTISEPTICS | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1997-03-18 | — | — | US | disclosed |
| US-5612339-A | BACTERICIDES OR ANTISEPTICS | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1997-03-18 | — | — | US | disclosed |
| US-5612339-A | BACTERICIDES OR ANTISEPTICS | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1997-03-18 | — | — | US | disclosed |
| WO-1996022087-A1 | SULFONAMIDE-BASED COMPOSITIONS AND METHODS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996022087-A1 | SULFONAMIDE-BASED COMPOSITIONS AND METHODS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996022097-A1 | NOVEL 2-HYDROXY-3-AMINOPROPYLSULFONAMIDES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996022097-A1 | NOVEL 2-HYDROXY-3-AMINOPROPYLSULFONAMIDES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-07-25 | — | — | WO | disclosed |
| US-5519060-A | ENZYME INHIBITORS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-05-21 | — | — | US | disclosed |
| US-5519060-A | ENZYME INHIBITORS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-05-21 | — | — | US | disclosed |