⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9719896 | 0.74 | — | — | |
| SCHEMBL20553893 | 0.68 | — | — | |
| SCHEMBL22490862 | 0.68 | MAPT (0.33) | — | |
| SCHEMBL22191170 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL5534355 | 0.66 | — | — | |
| SCHEMBL21774001 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL9067387 | 0.65 | MEN1 (0.42) | — | |
| SCHEMBL29156708 | 0.65 | ALDH1A1 (0.54) | — | |
| Alcohol SCHEMBL29044093 | 0.61 | — | — | |
| SCHEMBL14856930 | 0.60 | CDK2 (0.33) | — |
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-0563690-A1 | Electrochemical measuring cell for detection of species in water solutions | PROMINENT DOSIERTECHNIK GMBH (DE) | 1993-10-06 | — | — | EP | disclosed |