⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9246934 | 0.82 | — | — | |
| SCHEMBL5586069 | 0.79 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL377102 | 0.78 | — | — | |
| SCHEMBL4360209 | 0.75 | CYP2C19 (0.34) | — | |
| SCHEMBL8318163 | 0.74 | — | — | |
| SCHEMBL7120130 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL13728510 | 0.70 | — | — | |
| SCHEMBL1965437 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL8559299 | 0.67 | — | — | |
| SCHEMBL2788491 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799228-A1 | 3-ARYL-TETRONIC ACID DERIVATIVES, THE PRODUCTION THEREOF AND THE USE THEREOF AS ANTI-PARASITIC AGENTS | BAYER AG (DE) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996020196-A1 | 3-ARYL-TETRONIC ACID DERIVATIVES, THE PRODUCTION THEREOF AND THE USE THEREOF AS ANTI-PARASITIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-07-04 | — | — | WO | disclosed |