⚠ 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 | |
|---|---|---|---|---|
| Valproic Acid SCHEMBL7786603 | 0.70 | CHRM1 (0.55) | — | |
| Valproic Acid SCHEMBL7786936 | 0.70 | CHRM1 (0.36) | — | |
| Valproic Acid SCHEMBL7781969 | 0.68 | CHRM1 (0.40) | — | |
| Valproic Acid SCHEMBL7786602 | 0.68 | HDAC1 (0.40) | — | |
| SCHEMBL40620 | 0.67 | — | — | |
| SCHEMBL247706 | 0.67 | — | — | |
| SCHEMBL10634919 | 0.67 | — | — | |
| SCHEMBL828874 | 0.66 | — | — | |
| SCHEMBL1005309 | 0.65 | — | — | |
| SCHEMBL5160576 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2358198-A1 | HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010047819-A1 | HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2010-04-29 | — | — | WO | disclosed |