⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23581906 | 0.74 | — | — | |
| SCHEMBL7196053 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL1539345 | 0.69 | — | — | |
| SCHEMBL23581904 | 0.66 | — | — | |
| SCHEMBL10427977 | 0.66 | — | — | |
| SCHEMBL6658042 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL10567539 | 0.64 | — | — | |
| SCHEMBL27512551 | 0.63 | — | — | |
| SCHEMBL12095222 | 0.63 | — | — | |
| SCHEMBL1029361 | 0.63 | — | — |
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-114846092-A | Ultraviolet-curable water-based ink composition and preparation method thereof | 韩国创案科技研究有限公司 | 2022-08-02 | — | — | CN | disclosed |