⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6582236 | 0.89 | IP6K1 (0.32) | — | |
| SCHEMBL8927068 | 0.82 | PDPK1 (0.32) | — | |
| SCHEMBL14035312 | 0.80 | — | — | |
| SCHEMBL14035315 | 0.77 | — | — | |
| SCHEMBL14035183 | 0.77 | IP6K1 (0.30) | — | |
| SCHEMBL8927071 | 0.77 | PARP1 (0.34) | — | |
| SCHEMBL8584090 | 0.75 | APLNR (0.31) | — | |
| SCHEMBL4639104 | 0.75 | IP6K1 (0.33) | — | |
| SCHEMBL16706982 | 0.75 | ESR1 (0.35) | — | |
| SCHEMBL7742986 | 0.71 | APLNR (0.41) | — |
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 |