⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1644060 | 1.00 | — | — | |
| SCHEMBL9909459 | 0.76 | — | — | |
| SCHEMBL13144672 | 0.72 | — | — | |
| SCHEMBL9972650 | 0.72 | — | — | |
| SCHEMBL25594317 | 0.72 | — | — | |
| SCHEMBL19992357 | 0.70 | MAPT (0.32) | — | |
| SCHEMBL32664263 | 0.69 | — | — | |
| SCHEMBL19024201 | 0.69 | — | — | |
| SCHEMBL32664219 | 0.69 | — | — | |
| SCHEMBL29134863 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105263932-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2016-01-20 | — | — | CN | disclosed |