⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18568741 | 0.89 | GCK (0.31) | — | |
| SCHEMBL18568635 | 0.88 | — | — | |
| SCHEMBL18568913 | 0.86 | — | — | |
| SCHEMBL18569087 | 0.86 | SRC (0.30) | — | |
| SCHEMBL18568754 | 0.86 | — | — | |
| SCHEMBL18569067 | 0.85 | — | — | |
| SCHEMBL18568986 | 0.85 | GCK (0.36) | — | |
| SCHEMBL18568914 | 0.85 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL1654860 | 0.85 | MAPT (0.32) | — | |
| SCHEMBL18568596 | 0.84 | GCK (0.31) | — |
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-2308839-B1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICALS CO (JP) | 2017-03-01 | — | — | EP | disclosed |