⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1723918 | 0.79 | TSHR (0.64) | — | |
| SCHEMBL1702215 | 0.79 | TSHR (0.64) | — | |
| SCHEMBL28312685 | 0.75 | TSHR (0.73) | — | |
| SCHEMBL19810592 | 0.75 | TSHR (0.58) | — | |
| SCHEMBL2811713 | 0.75 | TSHR (0.58) | — | |
| SCHEMBL1684315 | 0.75 | TSHR (0.58) | — | |
| SCHEMBL212538 | 0.75 | — | — | |
| SCHEMBL5755277 | 0.69 | — | — | |
| SCHEMBL14861 | 0.69 | TDP1 (1.00) | — | |
| SCHEMBL28236221 | 0.69 | TDP1 (1.00) | — |
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-119528713-A | Synthesis method of nemonoxacin intermediate 2, 4-difluoro-3-methoxy-1-benzoic acid | 浙江昌海制药有限公司 | 2025-02-28 | — | — | CN | disclosed |