⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11923113 | 0.82 | RIPK1 (0.33) | — | |
| SCHEMBL12884950 | 0.80 | CA12 (0.35) | — | |
| SCHEMBL2746420 | 0.79 | DGAT1 (0.30) | — | |
| SCHEMBL5512327 | 0.75 | CHRNB2 (0.40) | — | |
| SCHEMBL14679340 | 0.74 | DPP4 (0.32) | — | |
| SCHEMBL13691106 | 0.74 | DPP4 (0.32) | — | |
| SCHEMBL1069362 | 0.74 | HDAC6 (0.33) | — | |
| SCHEMBL5515580 | 0.73 | DPP4 (0.31) | — | |
| SCHEMBL20934754 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL16750127 | 0.72 | LMNA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367666-B2 | 3-carbamoyl-2-pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-8178681-B2 | methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency | SHIONOGI & CO., LTD. (JP) | 2012-05-15 | — | — | US | disclosed |