⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29419088 | 0.92 | ALDH1A1 (0.32) | — | |
| SCHEMBL123760 | 0.92 | ALDH1A1 (0.32) | — | |
| Quinoxaline SCHEMBL18549945 | 0.81 | ALDH1A1 (0.32) | — | |
| Acetic Acid SCHEMBL17580315 | 0.80 | ALDH1A1 (0.35) | — | |
| Propionitrile SCHEMBL29064918 | 0.78 | MAPT (0.36) | — | |
| SCHEMBL28298803 | 0.76 | MAPT (0.35) | — | |
| Propionic Acid SCHEMBL28039295 | 0.76 | MAPT (0.35) | — | |
| SCHEMBL11217656 | 0.72 | MEN1 (0.34) | — | |
| SCHEMBL28794137 | 0.71 | TYK2 (0.33) | — | |
| SCHEMBL27741572 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104704661-B | Electrode active material for electricity storage and electrical storage device | 松下电器产业株式会社 | 2018-05-04 | — | — | CN | disclosed |