⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21736871 | 0.61 | — | — | |
| SCHEMBL19908591 | 0.57 | — | — | |
| SCHEMBL21736823 | 0.57 | — | — | |
| SCHEMBL24595123 | 0.56 | — | — | |
| SCHEMBL19400467 | 0.54 | — | — | |
| SCHEMBL24595049 | 0.53 | — | — | |
| SCHEMBL21737301 | 0.50 | — | — | |
| SCHEMBL28303318 | 0.50 | — | — | |
| SCHEMBL24426052 | 0.50 | NCF1 (0.48) | — | |
| SCHEMBL23985340 | 0.49 | DRD2 (0.39) | — |
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-3287441-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |