⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34473027 | 0.72 | CHRNB2 (0.30) | — | |
| SCHEMBL3775797 | 0.70 | MAPK1 (0.30) | — | |
| SCHEMBL20588744 | 0.69 | HSD11B1 (0.31) | — | |
| SCHEMBL6338744 | 0.69 | HSD11B1 (0.31) | — | |
| SCHEMBL20585537 | 0.69 | HSD11B1 (0.31) | — | |
| SCHEMBL20585538 | 0.69 | HSD11B1 (0.31) | — | |
| SCHEMBL20588745 | 0.69 | HSD11B1 (0.31) | — | |
| SCHEMBL20588452 | 0.67 | GABRR1 (0.31) | — | |
| SCHEMBL20588453 | 0.67 | GABRR1 (0.31) | — | |
| SCHEMBL20585730 | 0.67 | GABRR1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7932246-B2 | Histone deacetylase inhibitors | CHROMA THERAPEUTICS LTD. (GB) | 2011-04-26 | — | — | US | disclosed |
| EP-1881977-B1 | HISTONE DEACETYLASE INHIBITORS | CHROMA THERAPEUTICS LTD (GB) | 2011-01-05 | — | — | EP | disclosed |
| US-20100152155-A1 | Histone Deacetylase Inhibitors | CHROMA THERAPEUTICS LTD. (GB) | 2010-06-17 | — | — | US | disclosed |