⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16447084 | 1.00 | — | — | |
| SCHEMBL9754935 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL5497077 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL14523084 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL6118705 | 0.78 | GAA (0.44) | — | |
| SCHEMBL7942709 | 0.77 | SLC6A2 (0.30) | — | |
| SCHEMBL161790 | 0.77 | — | — | |
| SCHEMBL622318 | 0.77 | HDAC6 (0.54) | — | |
| SCHEMBL622720 | 0.77 | HDAC6 (0.54) | — | |
| SCHEMBL622751 | 0.77 | HDAC6 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0324347-A2 | 3,5-Dihydroxycarboxylic acids and their derivatives, process for their preparation, their use as medicines, pharmaceutical compositions and intermediates | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-07-19 | — | — | EP | disclosed |