⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1404687 | 1.00 | — | — | |
| SCHEMBL8846632 | 1.00 | — | — | |
| SCHEMBL6054264 | 0.81 | TET2 (0.67) | — | |
| SCHEMBL3261082 | 0.81 | TET2 (0.67) | — | |
| SCHEMBL4248927 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL7520045 | 0.75 | — | — | |
| SCHEMBL7524717 | 0.75 | — | — | |
| SCHEMBL11651698 | 0.75 | GPR84 (0.71) | — | |
| SCHEMBL9130322 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL529911 | 0.75 | — | — |
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-7999107-B2 | Psychological disorders; cognition activators; Alzheimer's disease; headaches; nervous system antiinflammatory agents; antiepileptic agents; Parkinson's disease; Huntington's disease; schizophrenia; eating disorders | MERCK SHARP & DOHME CORP. (US) | 2011-08-16 | — | — | US | disclosed |
| EP-2109615-B1 | SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2011-03-09 | — | — | EP | disclosed |
| EP-2109615-A1 | SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2009-10-21 | — | — | EP | disclosed |
| US-20080207666-A1 | Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators | MERCK SHARP & DOHME CORP. | 2008-08-28 | — | — | US | disclosed |
| WO-2008094476-A1 | SUBSTITUTED PYRANO [2, 3 - B] PYRIDINE DERIVATIVES AS CANNABINOID -1 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2008-08-07 | — | — | WO | disclosed |
| WO-2008094473-A1 | SUBSTITUTED PYRANO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2008-08-07 | — | — | WO | disclosed |