⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL945030 | 0.89 | CNR2 (0.36) | — | |
| Iodide SCHEMBL946192 | 0.88 | CNR2 (0.36) | — | |
| SCHEMBL3384690 | 0.84 | — | — | |
| SCHEMBL944821 | 0.81 | ADRA1D (0.37) | — | |
| SCHEMBL945039 | 0.81 | CNR2 (0.35) | — | |
| Bromide SCHEMBL962835 | 0.80 | CNR2 (0.33) | — | |
| SCHEMBL944585 | 0.80 | CNR2 (0.39) | — | |
| SCHEMBL3386380 | 0.78 | CYP2D6 (0.32) | — | |
| SCHEMBL345835 | 0.77 | CA2 (0.32) | — | |
| Bromide SCHEMBL946018 | 0.77 | CNR2 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8865753-B2 | Compounds as cannabinoid receptor ligands | ABBVIE INC. (US) | 2014-10-21 | — | — | US | disclosed |
| US-20110086832-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2011-04-14 | — | — | US | disclosed |
| US-7875640-B2 | N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants | ABBOTT LABORATORIES (US) | 2011-01-25 | — | — | US | disclosed |
| EP-2142522-A1 | 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | Abbott Laboratories (US) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008121558-A1 | 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2008-10-09 | — | — | WO | disclosed |
| US-20080242654-A1 | N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants | ABBOTT LABORATORIES (US) | 2008-10-02 | — | — | US | disclosed |