⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7797453 | 0.81 | MGMT (0.35) | — | |
| Hydrochloric Acid SCHEMBL7809520 | 0.80 | MGMT (0.35) | — | |
| SCHEMBL349903 | 0.75 | CYP11B1 (0.42) | — | |
| SCHEMBL11051541 | 0.72 | MPO (0.33) | — | |
| SCHEMBL346321 | 0.71 | ADRA1D (0.49) | — | |
| SCHEMBL10406697 | 0.70 | HTR1D (0.41) | — | |
| SCHEMBL4821398 | 0.69 | ADRA1D (0.47) | — | |
| Hydrochloric Acid SCHEMBL7816517 | 0.69 | ADRA1D (0.51) | — | |
| SCHEMBL6972732 | 0.68 | NOTUM (0.39) | — | |
| SCHEMBL2102413 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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-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 |