⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29074835 | 0.73 | — | — | |
| SCHEMBL15047178 | 0.73 | — | — | |
| SCHEMBL19905100 | 0.71 | — | — | |
| SCHEMBL13970483 | 0.67 | — | — | |
| SCHEMBL19606151 | 0.65 | — | — | |
| SCHEMBL757803 | 0.63 | — | — | |
| SCHEMBL8245488 | 0.63 | — | — | |
| SCHEMBL1021476 | 0.63 | — | — | |
| SCHEMBL14035932 | 0.63 | — | — | |
| SCHEMBL21728160 | 0.62 | — | — |
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-2624916-B1 | THIADIAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF OCULAR EDEMA | AERPIO THERAPEUTICS INC (US) | 2018-01-17 | — | — | EP | disclosed |