⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12048520 | 0.85 | TAAR1 (0.34) | — | |
| SCHEMBL12048524 | 0.84 | PTGS1 (0.34) | — | |
| SCHEMBL1340126 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL1339160 | 0.75 | GRIN2B (0.34) | — | |
| SCHEMBL1340236 | 0.72 | CTSL (0.33) | — | |
| SCHEMBL4046782 | 0.66 | — | — | |
| SCHEMBL12129591 | 0.66 | — | — | |
| SCHEMBL12048519 | 0.66 | — | — | |
| SCHEMBL1340667 | 0.66 | — | — | |
| SCHEMBL8352648 | 0.66 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8071635-B2 | Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; | ALLERGAN, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071635-B2 | Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; | ALLERGAN, INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8063086-B2 | Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063087-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063087-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063086-B2 | Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds | ALLERGAN, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-7960423-B2 | selective to alpha2B and/or alpha2C adrenergic receptors, minimal cardivascular and/or sedatory activity; pain | ALLERGAN, INC (US) | 2011-06-14 | — | — | US | disclosed |
| US-7960423-B2 | selective to alpha2B and/or alpha2C adrenergic receptors, minimal cardivascular and/or sedatory activity; pain | ALLERGAN, INC (US) | 2011-06-14 | — | — | US | disclosed |
| US-7569584-B2 | 4-(2-methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2b agonist and methods of using the same | ALLERGAN, INC. (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569584-B2 | 4-(2-methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2b agonist and methods of using the same | ALLERGAN, INC. (US) | 2009-08-04 | — | — | US | disclosed |
| US-20080070945-A1 | 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME | ALLERGAN, INC. | 2008-03-20 | — | — | US | disclosed |
| US-7345077-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2008-03-18 | — | — | US | disclosed |
| US-7345077-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2008-03-18 | — | — | US | disclosed |
| US-7323485-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2008-01-29 | — | — | US | disclosed |
| US-7323485-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2008-01-29 | — | — | US | disclosed |
| US-7276522-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-7276522-B2 | 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds | ALLERGAN, INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ALLERGAN, INC. | 2007-03-29 | — | — | US | disclosed |
| US-20070072926-A1 | Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases | ALLERGAN, INC. | 2007-03-29 | — | — | US | disclosed |
| WO-2006036404-A1 | 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYLOALKYLMETHYL) IMIDAZOL-2-ONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |