⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1681294 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL8646012 | 0.70 | — | — | |
| SCHEMBL16824137 | 0.69 | — | — | |
| SCHEMBL3365120 | 0.68 | — | — | |
| SCHEMBL2928495 | 0.67 | — | — | |
| SCHEMBL10583982 | 0.67 | — | — | |
| SCHEMBL11571443 | 0.63 | — | — | |
| SCHEMBL28198396 | 0.63 | — | — | |
| SCHEMBL27352700 | 0.63 | — | — | |
| SCHEMBL9497819 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013059582-A2 | SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES | NUPOTENTIAL, INC. (US) | 2013-04-25 | — | — | WO | disclosed |