⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19098308 | 0.78 | MAN1B1 (0.33) | — | |
| SCHEMBL733283 | 0.77 | — | — | |
| SCHEMBL12955304 | 0.77 | HTR2C (0.31) | — | |
| SCHEMBL733154 | 0.76 | — | — | |
| SCHEMBL19782071 | 0.74 | KDM1A (0.33) | — | |
| SCHEMBL24970734 | 0.69 | — | — | |
| SCHEMBL13435025 | 0.69 | — | — | |
| SCHEMBL19087104 | 0.67 | — | — | |
| SCHEMBL12457744 | 0.67 | — | — | |
| SCHEMBL14431985 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8946422-B2 | 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2015-02-03 | — | — | US | disclosed |