⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9638001 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL177660 | 0.76 | — | — | |
| SCHEMBL8866197 | 0.76 | — | — | |
| SCHEMBL1940678 | 0.76 | — | — | |
| SCHEMBL1472003 | 0.75 | — | — | |
| SCHEMBL2866131 | 0.74 | — | — | |
| SCHEMBL5946076 | 0.74 | — | — | |
| SCHEMBL13855414 | 0.74 | KMT2A (0.36) | — | |
| SCHEMBL10899226 | 0.74 | — | — | |
| SCHEMBL237335 | 0.73 | TGFBR1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8431610-B2 | Alkanoylamino benzamide aniline HDAC inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2013-04-30 | — | — | US | disclosed |
| US-20120301426-A1 | ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-11-29 | — | — | US | disclosed |
| US-8258316-B2 | Alkanoylamino benzamide aniline HDAC inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-09-04 | — | — | US | disclosed |
| US-20100310500-A1 | ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-12-09 | — | — | US | disclosed |