⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL731701 | 0.79 | — | — | |
| SCHEMBL731349 | 0.79 | — | — | |
| SCHEMBL733270 | 0.76 | — | — | |
| SCHEMBL12278314 | 0.73 | — | — | |
| SCHEMBL18779115 | 0.72 | — | — | |
| SCHEMBL18779118 | 0.64 | CHRM2 (0.34) | — | |
| SCHEMBL18600355 | 0.59 | — | — | |
| SCHEMBL16984152 | 0.59 | — | — | |
| SCHEMBL22752254 | 0.58 | CHRM2 (0.31) | — | |
| SCHEMBL18779114 | 0.58 | CHRM2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138346-B2 | Method for synthesis of 8-alkoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20110213152-A1 | METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | US | disclosed |