⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18104699 | 0.73 | — | — | |
| SCHEMBL6266488 | 0.71 | ADH1B (0.44) | — | |
| SCHEMBL1749565 | 0.70 | — | — | |
| SCHEMBL11459757 | 0.67 | — | — | |
| SCHEMBL16091202 | 0.67 | — | — | |
| SCHEMBL13350893 | 0.67 | ADH1B (0.33) | — | |
| SCHEMBL9014767 | 0.64 | ADH1B (0.55) | — | |
| SCHEMBL8070028 | 0.64 | — | — | |
| SCHEMBL269618 | 0.64 | — | — | |
| SCHEMBL18487157 | 0.64 | — | — |
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-2016153949-A1 | 5-DEUTERO-THIAZOLIDINE-2,4-DIONE COMPOUNDS AND METHODS OF TREATING MEDICAL DISORDERS USING SAME | DEUTERX, LLC (US) | 2016-09-29 | — | — | WO | disclosed |