⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL971555 | 0.80 | DUT (0.34) | — | |
| SCHEMBL9987646 | 0.80 | — | — | |
| SCHEMBL9988120 | 0.79 | — | — | |
| SCHEMBL9988117 | 0.78 | — | — | |
| SCHEMBL9988353 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL969683 | 0.74 | PIK3CD (0.39) | — | |
| SCHEMBL971240 | 0.74 | TAAR1 (0.34) | — | |
| SCHEMBL968935 | 0.74 | HTR7 (0.46) | — | |
| SCHEMBL1009729 | 0.72 | PDE10A (0.38) | — | |
| SCHEMBL9987340 | 0.71 | LMNA (0.44) | — |
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 |