⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49474 | 0.94 | — | — | |
| SCHEMBL20496600 | 0.71 | — | — | |
| Trimethylammonium SCHEMBL123123 | 0.63 | — | — | |
| SCHEMBL430721 | 0.62 | — | — | |
| SCHEMBL377532 | 0.62 | — | — | |
| SCHEMBL25220941 | 0.59 | — | — | |
| SCHEMBL9014234 | 0.59 | — | — | |
| SCHEMBL691686 | 0.59 | — | — | |
| SCHEMBL19101225 | 0.59 | — | — | |
| SCHEMBL49557 | 0.59 | — | — |
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-109791875-A | Compound film manufacturing method | 圆益IPS股份有限公司 | 2019-05-21 | — | — | CN | disclosed |