⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19730396 | 0.95 | TSPO (0.50) | — | |
| SCHEMBL19730390 | 0.90 | TSPO (0.47) | — | |
| SCHEMBL19730389 | 0.87 | GABRA2 (0.51) | — | |
| SCHEMBL19730399 | 0.85 | TSPO (0.53) | — | |
| SCHEMBL19730400 | 0.84 | — | — | |
| SCHEMBL19730398 | 0.84 | GABRA2 (0.49) | — | |
| SCHEMBL19730394 | 0.79 | TP53 (0.41) | — | |
| SCHEMBL19730393 | 0.78 | TSPO (0.52) | — | |
| SCHEMBL19730397 | 0.73 | SLC2A2 (0.55) | — | |
| SCHEMBL3023323 | 0.71 | TSPO (0.64) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10202376-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-02-12 | — | — | US | disclosed |
| US-20170362223-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-21 | — | — | US | disclosed |
| US-20170362223-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-21 | — | — | US | disclosed |