⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14127152 | 0.89 | — | — | |
| SCHEMBL5316 | 0.89 | — | — | |
| Phosphine SCHEMBL4322491 | 0.86 | — | — | |
| SCHEMBL15741725 | 0.86 | — | — | |
| SCHEMBL20668551 | 0.86 | — | — | |
| Bromide SCHEMBL25315220 | 0.86 | — | — | |
| Iodomethane SCHEMBL28228239 | 0.83 | — | — | |
| Ether SCHEMBL2991328 | 0.81 | ALDH1A1 (0.35) | — | |
| Ether SCHEMBL3140342 | 0.79 | ALDH1A1 (0.33) | — | |
| Butane SCHEMBL8412313 | 0.78 | CYP3A4 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8338623-B2 | N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants | ABBVIE INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-20120101083-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | US | disclosed |
| EP-2443110-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | Glaxo Group Limited (GB) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010146105-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | WO | disclosed |
| EP-2176219-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | Abbott Laboratories (US) | 2010-04-21 | — | — | EP | disclosed |
| US-20090018114-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2009-01-15 | — | — | US | disclosed |
| WO-2009009550-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2009-01-15 | — | — | WO | disclosed |