⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL239221 | 0.84 | CAMK2A (0.47) | — | |
| SCHEMBL14938533 | 0.81 | — | — | |
| SCHEMBL11515340 | 0.78 | ALDH1A1 (0.53) | — | |
| SCHEMBL735578 | 0.77 | CAMK2A (0.42) | — | |
| SCHEMBL5060469 | 0.75 | — | — | |
| SCHEMBL10276322 | 0.72 | — | — | |
| SCHEMBL5170759 | 0.67 | — | — | |
| SCHEMBL6970651 | 0.67 | — | — | |
| SCHEMBL6434673 | 0.67 | — | — | |
| 1,5-Pentanediol SCHEMBL15552828 | 0.65 | TSHR (0.57) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003057212-A1 | POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY | GENELABS TECHNOLOGIES, INC. (US) | 2003-07-17 | — | — | WO | disclosed |
| EP-0968180-B1 | SUBSTITUTED DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLOOXYGENASE II | NYCOMED AUSTRIA GMBH (AT) | 2003-06-04 | — | — | EP | disclosed |
| US-6297282-B1 | TREATING INFLAMMATION AND PAIN | NYCOMED AUSTRIA GMBH (AT) | 2001-10-02 | — | — | US | disclosed |
| EP-0848703-B1 | DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II | NYCOMED AUSTRIA GMBH (AT) | 2000-09-27 | — | — | EP | disclosed |
| EP-0968180-A1 | SUBSTITUTED DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLOOXYGENASE II | Nycomed Austria GmbH (AT) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998033769-A1 | SUBSTITUTED DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLOOXYGENASE II | NYCOMED AUSTRIA GMBH (AT) | 1998-08-06 | — | — | WO | disclosed |
| EP-0848703-A1 | DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II | Nycomed Austria GmbH (AT) | 1998-06-24 | — | — | EP | disclosed |
| WO-1997003953-A1 | DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II | NYCOMED AUSTRIA GMBH (AT) | 1997-02-06 | — | — | WO | disclosed |