⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16611186 | 0.86 | CDC42BPB (0.30) | — | |
| SCHEMBL16611375 | 0.80 | JAK2 (0.33) | — | |
| SCHEMBL16611164 | 0.79 | EGFR (0.33) | — | |
| SCHEMBL16611927 | 0.77 | CFTR (0.32) | — | |
| SCHEMBL16611401 | 0.71 | PIK3CD (0.34) | — | |
| SCHEMBL16611406 | 0.69 | EGFR (0.33) | — | |
| SCHEMBL16611035 | 0.69 | BTK (0.42) | — | |
| SCHEMBL16611265 | 0.68 | MAP3K5 (0.30) | — | |
| SCHEMBL16610751 | 0.64 | POLB (0.35) | — | |
| SCHEMBL16611552 | 0.64 | LRRK2 (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160251352-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2016-09-01 | — | — | US | disclosed |
| US-20160251352-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2016-09-01 | — | — | US | disclosed |
| US-20160251352-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2016-09-01 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-20150141406-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-21 | — | — | US | disclosed |
| EP-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |