⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7493738 | 0.92 | HRH1 (0.53) | — | |
| SCHEMBL7625187 | 0.88 | HRH1 (0.45) | — | |
| SCHEMBL7490020 | 0.87 | HRH1 (0.52) | — | |
| SCHEMBL7495355 | 0.87 | HRH1 (0.49) | — | |
| SCHEMBL7490254 | 0.87 | HRH1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL7899730 | 0.86 | HRH1 (0.58) | — | |
| SCHEMBL7491001 | 0.85 | HRH1 (0.51) | — | |
| SCHEMBL7482795 | 0.84 | HRH1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL7899978 | 0.84 | HRH1 (0.53) | — | |
| SCHEMBL7486540 | 0.84 | HRH1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |