⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL178631 | 0.79 | HTR2A (0.40) | — | |
| SCHEMBL10544542 | 0.78 | HTT (0.33) | — | |
| SCHEMBL22183998 | 0.76 | HPGD (0.32) | — | |
| SCHEMBL8567131 | 0.74 | HPGD (0.31) | — | |
| SCHEMBL5089366 | 0.74 | HPGD (0.31) | — | |
| SCHEMBL2258516 | 0.74 | HPGD (0.34) | — | |
| SCHEMBL9100028 | 0.73 | LMNA (0.37) | — | |
| SCHEMBL30064 | 0.71 | ACHE (0.42) | — | |
| SCHEMBL17120514 | 0.67 | — | — | |
| SCHEMBL12374304 | 0.67 | TSHR (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140371198-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2014-12-18 | — | — | US | disclosed |
| US-8759334-B2 | Compounds useful for the treatment of metabolic and inflammatory diseases | GALAPAGOS NV (BE) | 2014-06-24 | — | — | US | disclosed |
| US-20130303515-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2013-11-14 | — | — | US | disclosed |