⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29151326 | 1.00 | — | — | |
| SCHEMBL24348519 | 0.77 | — | — | |
| SCHEMBL26616986 | 0.77 | — | — | |
| SCHEMBL26442008 | 0.72 | ALPL (0.38) | — | |
| SCHEMBL18251683 | 0.71 | — | — | |
| SCHEMBL29771738 | 0.69 | NOS1 (0.33) | — | |
| SCHEMBL22965577 | 0.67 | — | — | |
| SCHEMBL15800771 | 0.64 | — | — | |
| SCHEMBL20578174 | 0.63 | — | — | |
| SCHEMBL9951570 | 0.63 | LMNA (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117510421-B | Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof | 河北美星化工有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-117510421-A | Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof | 河北美星化工有限公司 | 2024-02-06 | — | — | CN | disclosed |