⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7102516 | 0.86 | — | — | |
| SCHEMBL7247804 | 0.82 | — | — | |
| Maleic Acid SCHEMBL7247796 | 0.78 | ADRA2A (0.31) | — | |
| Fumaric Acid SCHEMBL7247808 | 0.78 | ADRA2A (0.31) | — | |
| SCHEMBL7097676 | 0.78 | ADRA2A (0.34) | — | |
| Fumaric Acid SCHEMBL7102536 | 0.77 | TRPV1 (0.32) | — | |
| Maleic Acid SCHEMBL7102529 | 0.77 | TRPV1 (0.32) | — | |
| SCHEMBL7103690 | 0.76 | BRAF (0.33) | — | |
| SCHEMBL7101615 | 0.64 | ADRA2A (0.46) | — | |
| Maleic Acid SCHEMBL7102511 | 0.64 | ADRA1A (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030073850-A1 | 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use | ABBOTT LABORATORIES | 2003-04-17 | — | — | US | disclosed |
| EP-1259491-A1 | 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS | Abbott Laboratories (US) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001060802-A1 | 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS | ABBOTT LABORATORIES (US) | 2001-08-23 | — | — | WO | disclosed |