⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28449621 | 0.79 | ADORA3 (0.30) | — | |
| SCHEMBL19540348 | 0.79 | — | — | |
| SCHEMBL18811618 | 0.76 | — | — | |
| SCHEMBL4954116 | 0.76 | — | — | |
| SCHEMBL18897783 | 0.76 | — | — | |
| SCHEMBL16770767 | 0.72 | — | — | |
| SCHEMBL10605471 | 0.72 | — | — | |
| SCHEMBL28175793 | 0.71 | — | — | |
| SCHEMBL24158990 | 0.70 | — | — | |
| SCHEMBL19865543 | 0.70 | — | — |
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-112601736-A | Compound, colored resin composition, color filter and display device | 东友精细化工有限公司 | 2021-04-02 | — | — | CN | disclosed |