⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6190151 | 0.89 | — | — | |
| SCHEMBL1250066 | 0.81 | — | — | |
| SCHEMBL546291 | 0.77 | — | — | |
| SCHEMBL9319823 | 0.77 | — | — | |
| SCHEMBL3595969 | 0.77 | — | — | |
| SCHEMBL9187806 | 0.74 | — | — | |
| SCHEMBL7844221 | 0.74 | — | — | |
| SCHEMBL8772185 | 0.74 | — | — | |
| SCHEMBL28604254 | 0.74 | — | — | |
| SCHEMBL8172810 | 0.73 | TSHR (0.32) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8841132-B2 | Method for detecting compounds containing sulfenic acid using a 1,3-cyclohexanedione-based probe | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2014-09-23 | — | — | US | disclosed |
| US-20130288268-A1 | SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS | UNIV WAKE FOREST HEALTH SCIENCES (US) | 2013-10-31 | — | — | US | disclosed |
| US-8486642-B2 | Method of synthesizing 1,3-cyclohexadione derived reagents useful for detection or isolation of sulfenic acid-containing compounds | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2013-07-16 | — | — | US | disclosed |
| US-20100317027-A1 | SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS | POOLE LESLIE B | 2010-12-16 | — | — | US | disclosed |
| US-7803630-B2 | Method for detecting target compounds containing sulfenic acids using new reagents | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2010-09-28 | — | — | US | disclosed |
| US-20080070261-A1 | SULFENIC ACID-REACTIVE COMPOUNDS | WAKE FOREST UNIVERSITY HEALTH SCIENCES | 2008-03-20 | — | — | US | disclosed |
| US-7294748-B2 | Sulfenic acid-reactive compounds and their methods of synthesis | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2007-11-13 | — | — | US | disclosed |
| US-20060084173-A1 | Sulfenic acid-reactive compounds and their methods of synthesis and use in detection or isolation of sulfenic acid-containing compounds | WAKE FOREST UNIVERSITY HEALTH SCIENCES | 2006-04-20 | — | — | US | disclosed |
| EP-0874843-B1 | SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | AVENTIS PHARMA INC (US) | 2002-08-07 | — | — | EP | disclosed |
| US-6423704-B2 | CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS | AVENTIS PHARMACEUTICALS INC. | 2002-07-23 | — | — | US | disclosed |
| US-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |
| US-20010034343-A1 | Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases | AVENTIS PHARMACEUTICALS INC. | 2001-10-25 | — | — | US | disclosed |
| US-6194406-B1 | HISTAMINE RECEPTOR ANTAGONISTS; TACHYKININ RECEPTOR ANTAGONISTS; ASTHMA; BRONCHITIS; INFLAMMATORY BOWEL DISEASES, INCLUDING CROHN'S DISEASE AND ULCERATIVE COLITIS; SEASONAL RHINITIS; SINUSITIS; ANTIALLERGENS; EMETIC AGENTS | AVENTIS PHARMACEUTICALS INC. | 2001-02-27 | — | — | US | disclosed |
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |
| EP-0874843-A1 | NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997022604-A1 | NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-06-26 | — | — | WO | disclosed |