⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4221767 | 1.00 | — | — | |
| Fumaric Acid SCHEMBL27642171 | 0.81 | TSHR (0.67) | — | |
| Maleic Acid SCHEMBL19691762 | 0.81 | TSHR (0.69) | — | |
| SCHEMBL12568561 | 0.78 | TSHR (0.64) | — | |
| SCHEMBL9847665 | 0.77 | — | — | |
| Fumaric Acid SCHEMBL9805396 | 0.75 | TSHR (0.60) | — | |
| Maleic Acid SCHEMBL9805373 | 0.75 | TSHR (0.60) | — | |
| Maleic Acid SCHEMBL21708404 | 0.74 | ALDH1A1 (0.56) | — | |
| Maleic Acid SCHEMBL20487516 | 0.73 | TSHR (1.00) | — | |
| SCHEMBL22654332 | 0.73 | — | — |
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-7557127-B2 | HDAC inhibitor | ASTELLAS PHARMA INC. (JP) | 2009-07-07 | — | — | US | disclosed |
| US-20090054464-A1 | HDAC INHIBITOR | ASTELLAS PHARMA INC. (JP) | 2009-02-26 | — | — | US | disclosed |
| US-7465731-B2 | HDAC inhibitor | ASTELLAS PHARMA INC. (JP) | 2008-12-16 | — | — | US | disclosed |
| EP-1776357-A1 | HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) | Astellas Pharma Inc. (JP) | 2007-04-25 | — | — | EP | disclosed |
| US-20060052599-A1 | HDAC inhibitor | ASTELLAS PHARMA INC. (JP) | 2006-03-09 | — | — | US | disclosed |
| WO-2006016680-A1 | HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) | ASTELLAS PHARMA INC. (JP) | 2006-02-16 | — | — | WO | disclosed |