⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3043211 | 0.96 | — | — | |
| SCHEMBL1580104 | 0.74 | — | — | |
| SCHEMBL312356 | 0.69 | SMN1; SMN2 (0.36) | — | |
| Perfluorotoluene SCHEMBL308464 | 0.69 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL7783594 | 0.69 | — | — | |
| SCHEMBL23149881 | 0.69 | — | — | |
| SCHEMBL23149902 | 0.69 | — | — | |
| SCHEMBL23149875 | 0.69 | — | — | |
| Perfluorotoluene SCHEMBL11039608 | 0.67 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL3168128 | 0.67 | SMN1; SMN2 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118119583-A | Method for producing fluorine-containing aromatic compound | 大金工业株式会社 | 2024-05-31 | — | — | CN | disclosed |
| EP-0459196-B1 | Fluoromethylated polycyanobenzenes, their addition compounds with alkalicyanides, process for their preparation and utilisation of the fluoromethylated polycyanobenzenes | BAYER AG (DE) | 1994-03-30 | — | — | EP | disclosed |
| US-5175336-A | For detection of anions by visible coloration or fluorescence | BAYER AKTIENGESELLSCHAFT (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0459196-A1 | Fluoromethylated polycyanobenzenes, their addition compounds with alkalicyanides, process for their preparation and utilisation of the fluoromethylated polycyanobenzenes | BAYER AG (DE) | 1991-12-04 | — | — | EP | disclosed |