⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9987654 | 0.86 | — | — | |
| SCHEMBL972467 | 0.75 | DUT (0.31) | — | |
| SCHEMBL577365 | 0.69 | — | — | |
| SCHEMBL9987448 | 0.69 | — | — | |
| SCHEMBL534250 | 0.68 | — | — | |
| SCHEMBL8545480 | 0.67 | — | — | |
| SCHEMBL3481780 | 0.66 | HSD17B10 (0.31) | — | |
| SCHEMBL7265990 | 0.63 | — | — | |
| SCHEMBL9987646 | 0.63 | — | — | |
| SCHEMBL4586387 | 0.63 | KCNH2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2582706-A1 | 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011157682-A1 | 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-22 | — | — | WO | disclosed |