⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6581535 | 0.75 | TP53 (0.31) | — | |
| SCHEMBL6581530 | 0.74 | ADRA2A (0.43) | — | |
| SCHEMBL6579189 | 0.72 | IKBKB (0.31) | — | |
| SCHEMBL6582505 | 0.65 | IKBKB (0.30) | — | |
| SCHEMBL8117248 | 0.63 | L3MBTL1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL8692308 | 0.63 | — | — | |
| SCHEMBL6581448 | 0.63 | CYP26A1 (0.33) | — | |
| SCHEMBL8020018 | 0.63 | ADRA2B (0.41) | — | |
| Bromide SCHEMBL8927842 | 0.63 | CYP26A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8111500 | 0.63 | — | — |
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 |