⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18567355 | 1.00 | — | — | |
| SCHEMBL17451577 | 0.87 | — | — | |
| SCHEMBL17451822 | 0.87 | — | — | |
| SCHEMBL19346873 | 0.86 | — | — | |
| SCHEMBL15693469 | 0.83 | — | — | |
| SCHEMBL15693470 | 0.83 | — | — | |
| SCHEMBL18567632 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL18567633 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL19189454 | 0.82 | — | — | |
| SCHEMBL20342280 | 0.82 | — | — |
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-2697210-B1 | 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2017-03-01 | — | — | EP | disclosed |