⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7800744 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL7791272 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL10584050 | 0.75 | — | — | |
| SCHEMBL418112 | 0.66 | MITF (0.33) | — | |
| SCHEMBL340071 | 0.65 | LOXL2 (0.47) | — | |
| SCHEMBL1753926 | 0.64 | MITF (0.33) | — | |
| SCHEMBL6695496 | 0.64 | CYP2D6 (0.41) | — | |
| SCHEMBL73986 | 0.64 | ESR1 (0.32) | — | |
| SCHEMBL1755746 | 0.63 | MITF (0.32) | — | |
| SCHEMBL6972732 | 0.62 | NOTUM (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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1370533-B1 | IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS | ALLERGAN INC (US) | 2015-05-06 | — | — | EP | disclosed |
| WO-2013074320-A1 | ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN | ALLERGAN, INC. (US) | 2013-05-23 | — | — | WO | disclosed |
| US-20120083508-A1 | ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN | ALLERGAN, INC. (US) | 2012-04-05 | — | — | US | disclosed |
| US-20120083508-A1 | ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN | ALLERGAN, INC. (US) | 2012-04-05 | — | — | US | disclosed |
| US-20100016355-A1 | ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN | GIL DANIEL W | 2010-01-21 | — | — | US | disclosed |
| US-20100016355-A1 | ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN | GIL DANIEL W | 2010-01-21 | — | — | US | disclosed |
| WO-2008079720-A1 | ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATNG CHRONIC PAIN | ALLERGAN, INC. (US) | 2008-07-03 | — | — | WO | disclosed |
| WO-2008079728-A2 | ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN | ALLERGAN, INC. (US) | 2008-07-03 | — | — | WO | disclosed |
| US-20080153825-A1 | ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS | ALLERGAN INC. | 2008-06-26 | — | — | US | disclosed |
| US-20080153825-A1 | ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS | ALLERGAN INC. | 2008-06-26 | — | — | US | disclosed |
| US-20080153927-A1 | ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS | ALLERGAN, INC. | 2008-06-26 | — | — | US | disclosed |
| US-20080153927-A1 | ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS | ALLERGAN, INC. | 2008-06-26 | — | — | US | disclosed |
| US-20080153874-A1 | ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN | ALLERGAN INC. | 2008-06-26 | — | — | US | disclosed |
| US-20080153881-A1 | ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS | ALLERGAN, INC. | 2008-06-26 | — | — | US | disclosed |
| US-20080153881-A1 | ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS | ALLERGAN, INC. | 2008-06-26 | — | — | US | disclosed |
| US-20080153874-A1 | ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN | ALLERGAN INC. | 2008-06-26 | — | — | US | disclosed |