⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31681707 | 0.64 | — | — | |
| SCHEMBL23971099 | 0.56 | — | — | |
| SCHEMBL11649346 | 0.53 | EPHX1 (0.30) | — | |
| Glycidol SCHEMBL15367861 | 0.51 | — | — | |
| SCHEMBL21946981 | 0.50 | — | — | |
| Glycidol SCHEMBL16040784 | 0.49 | ALDH1A1 (0.38) | — | |
| SCHEMBL4835995 | 0.49 | — | — | |
| SCHEMBL1419473 | 0.49 | — | — | |
| SCHEMBL21810905 | 0.49 | EPHX1 (0.35) | — | |
| SCHEMBL12171586 | 0.49 | — | — |
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-2665716-B1 | METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES | EISAI R&D MAN CO LTD (JP) | 2017-03-08 | — | — | EP | disclosed |