⚠ 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL940072 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL1749265 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL28011834 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL30963038 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL8175646 | 0.94 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL375329 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL5898602 | 0.94 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL1017696 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL4344269 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL2129377 | 0.94 | ALDH1A1 (0.88) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2951177-A1 | IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF | Neomed Institute (CA) | 2015-12-09 | — | — | EP | disclosed |
| WO-2014117274-A1 | IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF | NEOMED INSTITUTE (CA) | 2014-08-07 | — | — | WO | disclosed |
| WO-2012082483-A2 | MULTIFUNCTIONAL LINKERS AND METHODS FOR THE USE THEREOF | RGO BIOSCIENCE LLC (US) | 2012-06-21 | — | — | WO | disclosed |