⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29398195 | 0.95 | — | — | |
| SCHEMBL3767165 | 0.95 | MAPT (0.53) | — | |
| SCHEMBL29418986 | 0.95 | MAPT (0.53) | — | |
| SCHEMBL29375766 | 0.95 | MAPT (0.53) | — | |
| SCHEMBL27566643 | 0.95 | MAPT (0.53) | — | |
| SCHEMBL33554 | 0.95 | — | — | |
| SCHEMBL8984812 | 0.91 | — | — | |
| Water SCHEMBL9798116 | 0.91 | MAPT (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL29236626 | 0.91 | — | — | |
| Water SCHEMBL10406928 | 0.91 | — | — |
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-106104849-A | Ionic conduction composite diaphragm | 国际商业机器公司 | 2016-11-09 | — | — | CN | claimed |