⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18796002 | 0.80 | NR1H2 (0.37) | — | |
| SCHEMBL8224403 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL1219524 | 0.75 | ACHE (0.39) | — | |
| SCHEMBL10987337 | 0.71 | ACHE (0.45) | — | |
| SCHEMBL10623221 | 0.71 | — | — | |
| SCHEMBL536223 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL7118374 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL1140738 | 0.67 | — | — | |
| SCHEMBL14954643 | 0.67 | NR1H2 (0.33) | — | |
| SCHEMBL7592773 | 0.66 | AKR1C3 (0.46) | — |
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-20120046364-A1 | Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use | METABASIS THERAPEUTICS, INC. (US) | 2012-02-23 | — | — | US | disclosed |
| WO-2010093601-A1 | NOVEL SULFONIC ACID-CONTAINING THYROMIMETICS, AND METHODS FOR THEIR USE | METABASIS THERAPEUTICS, INC. (US) | 2010-08-19 | — | — | WO | disclosed |