⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19071980 | 0.94 | — | — | |
| SCHEMBL19072195 | 0.94 | — | — | |
| SCHEMBL19071891 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL19071962 | 0.72 | — | — | |
| SCHEMBL823252 | 0.63 | — | — | |
| SCHEMBL24655025 | 0.61 | PDE4D (0.38) | — | |
| SCHEMBL29612252 | 0.58 | AURKA (0.31) | — | |
| SCHEMBL13272743 | 0.57 | MAPT (0.35) | — | |
| Iodide SCHEMBL4609806 | 0.57 | — | — | |
| SCHEMBL28568491 | 0.54 | POLB (0.37) | — |
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-2714659-B1 | COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS | AMERICAN DYE SOURCE INC (CA) | 2017-07-05 | — | — | EP | disclosed |
| WO-2012159213-A1 | COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS | AMERICAN DYE SOURCE, INC. (CA) | 2012-11-29 | — | — | WO | disclosed |