⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2239024 | 0.84 | — | — | |
| SCHEMBL3073644 | 0.80 | — | — | |
| SCHEMBL29149672 | 0.76 | — | — | |
| SCHEMBL29408430 | 0.76 | — | — | |
| SCHEMBL23735530 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL23692831 | 0.71 | — | — | |
| SCHEMBL7621254 | 0.69 | MMP2 (0.35) | — | |
| SCHEMBL9868479 | 0.69 | — | — | |
| SCHEMBL24026510 | 0.69 | — | — | |
| SCHEMBL20966335 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8227636-B2 | Histone deacetylase inhibitor prodrugs | MERCK HDAC RESEARCH, LLC (US) | 2012-07-24 | — | — | US | disclosed |
| US-7935724-B2 | Thiophene and benzothiophene hydroxamic acid derivatives | MERCK HDAC RESEARCH, LLC (US) | 2011-05-03 | — | — | US | disclosed |
| US-20090023786-A1 | Histone Deacetylase Inhibitor Prodrugs | ALTON PHARMA, INC. (US) | 2009-01-22 | — | — | US | disclosed |
| US-20070213392-A1 | Thiophene and Benzothiophene Hydroxamic Acid Derivatives | MERCK HDAC RESEARCH, LLC | 2007-09-13 | — | — | US | disclosed |
| WO-2005097747-A1 | HISTONE DEACETYLASE INHIBITOR PRODRUGS | ATON PHARMA, INC. (US) | 2005-10-20 | — | — | WO | disclosed |
| WO-2005034880-A2 | THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES | ATON PHARMA, INC. (US) | 2005-04-21 | — | — | WO | disclosed |