⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3908898 | 0.71 | — | — | |
| SCHEMBL321711 | 0.67 | CYP2D6 (0.30) | — | |
| SCHEMBL9770591 | 0.62 | — | — | |
| SCHEMBL9707456 | 0.60 | — | — | |
| SCHEMBL11643906 | 0.59 | — | — | |
| SCHEMBL5550677 | 0.59 | — | — | |
| SCHEMBL29126639 | 0.59 | — | — | |
| SCHEMBL9129233 | 0.58 | TDP1 (0.30) | — | |
| SCHEMBL16268441 | 0.57 | — | — | |
| SCHEMBL28871100 | 0.57 | — | — |
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-105440252-B | A kind of waterborne polyurethane modified epoxy itaconic acid resin of ultraviolet light solidification and preparation method thereof | 广州大学 | 2018-03-20 | — | — | CN | disclosed |