⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16201669 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL16201642 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL23312221 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL16201657 | 0.68 | TSHR (0.34) | — | |
| SCHEMBL16201668 | 0.65 | CSNK2A2 (0.34) | — | |
| SCHEMBL16201670 | 0.64 | PDE4B (0.31) | — | |
| SCHEMBL16870185 | 0.61 | CES1 (0.34) | — | |
| SCHEMBL22175509 | 0.59 | HPD (0.35) | — | |
| SCHEMBL16201651 | 0.58 | POLB (0.39) | — | |
| SCHEMBL11998966 | 0.58 | TRIM24 (0.40) | — |
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-9345905-B2 | Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents | NANJING ALLGEN PHARMA CO. LTD. (CN) | 2016-05-24 | — | — | US | disclosed |
| US-20140322229-A1 | HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS | BETA PHARMA CANADA INC. (CA) | 2014-10-30 | — | — | US | disclosed |