⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28477316 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL30723226 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL7681616 | 0.79 | — | — | |
| SCHEMBL9230888 | 0.76 | — | — | |
| SCHEMBL9237996 | 0.76 | — | — | |
| SCHEMBL396999 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL9539845 | 0.65 | PDE4A (0.40) | — | |
| Methane SCHEMBL27945359 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL29645196 | 0.65 | USP2 (0.33) | — | |
| SCHEMBL28557963 | 0.65 | USP2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102417528-A | Thiazole (-zin) alkane ketone ring conjoined disaccharide compound, its preparation method and application in pharmaceutical preparation | UNIV HEBEI | 2012-04-18 | — | — | CN | disclosed |