⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15099812 | 0.65 | — | — | |
| SCHEMBL15099819 | 0.65 | — | — | |
| SCHEMBL20569347 | 0.62 | IRAK4 (0.34) | — | |
| SCHEMBL5899653 | 0.61 | CA2 (0.40) | — | |
| SCHEMBL5899489 | 0.61 | CA2 (0.40) | — | |
| SCHEMBL13770769 | 0.60 | — | — | |
| SCHEMBL20028981 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL21176463 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL22272452 | 0.59 | KMT2A (0.37) | — | |
| SCHEMBL25316992 | 0.59 | ALDH1A1 (0.32) | — |
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 |