⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12320600 | 0.68 | — | — | |
| SCHEMBL12278314 | 0.68 | — | — | |
| SCHEMBL16182218 | 0.66 | — | — | |
| SCHEMBL18600355 | 0.63 | — | — | |
| SCHEMBL16984152 | 0.63 | — | — | |
| SCHEMBL10086966 | 0.61 | — | — | |
| SCHEMBL731701 | 0.60 | — | — | |
| SCHEMBL18925626 | 0.60 | — | — | |
| SCHEMBL731349 | 0.60 | — | — | |
| SCHEMBL9966030 | 0.56 | SIGMAR1 (0.32) | — |
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-2008021491-A2 | METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES | ACHILLION PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |