⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6129176 | 0.66 | L3MBTL1 (0.38) | — | |
| SCHEMBL1135128 | 0.65 | — | — | |
| SCHEMBL1206477 | 0.64 | KDM4E (0.44) | — | |
| SCHEMBL2003345 | 0.63 | KDM4E (0.37) | — | |
| SCHEMBL6907598 | 0.63 | FFAR1 (0.35) | — | |
| SCHEMBL6452278 | 0.62 | CES2 (0.40) | — | |
| SCHEMBL1135163 | 0.62 | LMNA (0.32) | — | |
| Butane SCHEMBL7854574 | 0.61 | KDM4E (0.45) | — | |
| Butane SCHEMBL7490524 | 0.61 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL1135169 | 0.60 | ALDH1A1 (0.31) | — |
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-119661371-A | Preparation method of 2-fluoro-4-methylaniline | 帕潘纳(北京)科技有限公司 | 2025-03-21 | — | — | CN | disclosed |