⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3788943 | 0.78 | — | — | |
| SCHEMBL22322654 | 0.77 | — | — | |
| SCHEMBL28935456 | 0.74 | GPR119 (0.37) | — | |
| SCHEMBL11327372 | 0.73 | — | — | |
| SCHEMBL11953974 | 0.73 | — | — | |
| SCHEMBL1003120 | 0.71 | LMNA (0.50) | — | |
| SCHEMBL2811577 | 0.70 | LMNA (0.48) | — | |
| SCHEMBL194209 | 0.69 | — | — | |
| SCHEMBL387446 | 0.69 | — | — | |
| SCHEMBL441843 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10435399-B2 | HDAC6 inhibitory heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-10-08 | — | — | US | disclosed |
| US-20190135799-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-05-09 | — | — | US | disclosed |