⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15980329 | 0.73 | PDK1 (0.31) | — | |
| SCHEMBL19427152 | 0.71 | — | — | |
| SCHEMBL12023361 | 0.68 | — | — | |
| SCHEMBL17339866 | 0.65 | NPC1 (0.34) | — | |
| SCHEMBL15980366 | 0.63 | — | — | |
| SCHEMBL14434322 | 0.60 | — | — | |
| SCHEMBL10268979 | 0.58 | — | — | |
| SCHEMBL13047002 | 0.55 | LMNA (0.39) | — | |
| SCHEMBL17481212 | 0.54 | DPP4 (0.39) | — | |
| SCHEMBL17132534 | 0.54 | DPP4 (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2116533-A1 | GLUCOKINASE ACTIVATOR | Kyorin Pharmaceutical Co., Ltd. (JP) | 2009-11-11 | — | — | EP | disclosed |