⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16372275 | 0.77 | — | — | |
| SCHEMBL28160990 | 0.77 | — | — | |
| SCHEMBL17434523 | 0.71 | — | — | |
| SCHEMBL28729367 | 0.69 | — | — | |
| SCHEMBL28199993 | 0.66 | — | — | |
| SCHEMBL28160483 | 0.66 | — | — | |
| SCHEMBL28219910 | 0.66 | — | — | |
| SCHEMBL28186540 | 0.64 | — | — | |
| SCHEMBL12030072 | 0.63 | PTPN1 (0.31) | — | |
| SCHEMBL9935179 | 0.60 | — | — |
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-9834520-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-05 | — | — | US | disclosed |
| US-20160229814-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-08-11 | — | — | US | disclosed |
| EP-2975031-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-01-20 | — | — | EP | disclosed |