⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9123241 | 1.00 | — | — | |
| SCHEMBL9120499 | 1.00 | — | — | |
| SCHEMBL6369905 | 0.80 | — | — | |
| SCHEMBL3962443 | 0.77 | HCAR2 (0.50) | — | |
| SCHEMBL9122990 | 0.77 | HCAR2 (0.50) | — | |
| SCHEMBL10858869 | 0.73 | — | — | |
| SCHEMBL10858875 | 0.73 | — | — | |
| Dimethyl Fumarate SCHEMBL41836 | 0.71 | NFE2L2 (1.00) | — | |
| Dimethyl Maleate SCHEMBL75864 | 0.71 | NFE2L2 (1.00) | — | |
| Dimethyl Fumarate SCHEMBL11668350 | 0.71 | NFE2L2 (1.00) | — |
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-8034822-B2 | Glucokinase activators | TAKEDA SAN DIEGO, INC. (US) | 2011-10-11 | — | — | US | disclosed |
| WO-2007104034-A2 | GLUCOKINASE ACTIVATORS | TAKEDA SAN DIEGO, INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| US-20070213349-A1 | GLUCOKINASE ACTIVATORS | TAKEDA SAN DIEGO, INC. | 2007-09-13 | — | — | US | disclosed |