⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1202723 | 0.82 | — | — | |
| SCHEMBL11326561 | 0.82 | — | — | |
| SCHEMBL866847 | 0.82 | — | — | |
| SCHEMBL11765956 | 0.67 | — | — | |
| SCHEMBL10704290 | 0.67 | — | — | |
| SCHEMBL4259759 | 0.67 | — | — | |
| SCHEMBL10801033 | 0.67 | — | — | |
| SCHEMBL3742488 | 0.67 | — | — | |
| SCHEMBL11153359 | 0.67 | — | — | |
| SCHEMBL1660564 | 0.67 | — | — |
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-105044100-A | Kit for detecting tyrosine phenolic metabolite in human urine | HANGZHOU XIN YE BIOLOG TECHNOLOGY CO LTD | 2015-11-11 | — | — | CN | disclosed |