⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL66335 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL29880190 | 0.69 | ALDH1A1 (0.50) | — | |
| Ethyl Acetate SCHEMBL29187192 | 0.67 | ALDH1A1 (0.70) | — | |
| Ethyl Acetate SCHEMBL11657989 | 0.65 | ALDH1A1 (0.67) | — | |
| SCHEMBL29019537 | 0.64 | — | — | |
| SCHEMBL6247833 | 0.64 | — | — | |
| SCHEMBL733942 | 0.62 | — | — | |
| SCHEMBL28975645 | 0.62 | — | — | |
| SCHEMBL13783870 | 0.61 | — | — | |
| SCHEMBL23145454 | 0.60 | ALDH1A1 (0.34) | — |
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-3702448-A1 | NEURONAL NETWORK AND METHOD FOR MONITORING EXCITATORY AND INHIBITORY BALANCE | Neuroproof GmbH (DE) | 2020-09-02 | — | — | EP | disclosed |