⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1643275 | 1.00 | — | — | |
| SCHEMBL1643870 | 1.00 | — | — | |
| SCHEMBL1643958 | 1.00 | — | — | |
| SCHEMBL1644346 | 0.81 | — | — | |
| SCHEMBL1642831 | 0.81 | — | — | |
| SCHEMBL12727370 | 0.81 | — | — | |
| SCHEMBL1643786 | 0.65 | IRAK4 (0.32) | — | |
| SCHEMBL13933230 | 0.65 | IRAK4 (0.32) | — | |
| SCHEMBL1643792 | 0.64 | BRD4 (0.31) | — | |
| SCHEMBL12659700 | 0.63 | TSHR (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3066094-B1 | PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS | TAKEDA PHARMACEUTICALS CO (JP) | 2020-01-08 | — | — | EP | disclosed |
| US-9890145-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-02-13 | — | — | US | disclosed |
| US-20160311811-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-10-27 | — | — | US | disclosed |
| EP-3066094-A1 | PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS | Takeda Pharmaceutical Company Limited (JP) | 2016-09-14 | — | — | EP | disclosed |
| US-9321757-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-04-26 | — | — | US | disclosed |
| WO-2015068856-A1 | PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-14 | — | — | WO | disclosed |
| US-20150133451-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-14 | — | — | US | disclosed |