⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28440577 | 0.89 | — | — | |
| SCHEMBL7267804 | 0.88 | NFKB1 (0.75) | — | |
| SCHEMBL16345592 | 0.88 | NFKB1 (0.75) | — | |
| SCHEMBL8182 | 0.88 | — | — | |
| Ethylamine SCHEMBL14775636 | 0.84 | NFKB1 (0.55) | — | |
| Chloromethane SCHEMBL9186830 | 0.84 | NFKB1 (0.55) | — | |
| Propane SCHEMBL1681606 | 0.84 | — | — | |
| SCHEMBL11319200 | 0.84 | — | — | |
| SCHEMBL25350595 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL423991 | 0.82 | — | — |
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-113274506-A | Drug delivery technology of polymer-carbohydrate conjugates | 念·吴 | 2021-08-20 | — | — | CN | disclosed |