⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6585050 | 0.87 | — | — | |
| SCHEMBL6581189 | 0.75 | CYP26A1 (0.32) | — | |
| Bromide SCHEMBL8927786 | 0.74 | CYP26A1 (0.32) | — | |
| SCHEMBL6950543 | 0.68 | IP6K1 (0.32) | — | |
| SCHEMBL6581564 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6967231 | 0.68 | IP6K1 (0.32) | — | |
| SCHEMBL6581448 | 0.65 | CYP26A1 (0.33) | — | |
| Bromide SCHEMBL8927842 | 0.64 | CYP26A1 (0.32) | — | |
| SCHEMBL8927796 | 0.64 | CYP26A1 (0.38) | — | |
| SCHEMBL10979249 | 0.64 | MEN1 (0.30) | — |
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-1037887-B1 | 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY | PROCTER & GAMBLE (US) | 2004-07-14 | — | — | EP | disclosed |
| US-6486190-B1 | 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability | THE PROCTER & GAMBLE COMPANY | 2002-11-26 | — | — | US | disclosed |
| EP-1037887-A1 | 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY | THE PROCTER & GAMBLE COMPANY (US) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999026942-A1 | 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY | THE PROCTER & GAMBLE COMPANY (US) | 1999-06-03 | — | — | WO | disclosed |