⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16781667 | 0.77 | — | — | |
| SCHEMBL24404928 | 0.75 | — | — | |
| SCHEMBL4618937 | 0.71 | — | — | |
| SCHEMBL29317136 | 0.71 | — | — | |
| SCHEMBL402578 | 0.71 | — | — | |
| SCHEMBL487372 | 0.71 | — | — | |
| SCHEMBL584147 | 0.71 | — | — | |
| SCHEMBL30219845 | 0.71 | — | — | |
| SCHEMBL21408628 | 0.71 | — | — | |
| SCHEMBL5232713 | 0.67 | DYRK1A (0.33) | — |
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-2295433-A2 | JNK inhibitors | Eisai R&D Management Co., Ltd. (JP) | 2011-03-16 | — | — | EP | disclosed |