⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6091848 | 0.79 | CA2 (0.32) | — | |
| SCHEMBL8792414 | 0.74 | CA2 (0.31) | — | |
| SCHEMBL4329539 | 0.73 | CA2 (0.35) | — | |
| SCHEMBL12315840 | 0.73 | CA2 (0.35) | — | |
| SCHEMBL3346701 | 0.73 | CA2 (0.35) | — | |
| SCHEMBL9739006 | 0.72 | CA2 (0.52) | — | |
| SCHEMBL4462047 | 0.71 | — | — | |
| SCHEMBL7515709 | 0.69 | — | — | |
| SCHEMBL6092520 | 0.67 | GRIN2B (0.32) | — | |
| SCHEMBL9739170 | 0.67 | CA2 (0.36) | — |
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-2128161-A1 | Process for obtaining 4-hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-7,7-dioxide and its enantiomers, and applications thereof | Ragactives, S.L. (ES) | 2009-12-02 | — | — | EP | disclosed |