⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8773850 | 0.79 | CYP3A4 (0.32) | — | |
| SCHEMBL8773819 | 0.69 | — | — | |
| SCHEMBL3352617 | 0.67 | — | — | |
| SCHEMBL14459752 | 0.64 | CYP3A4 (0.37) | — | |
| SCHEMBL661517 | 0.59 | — | — | |
| SCHEMBL18691180 | 0.59 | — | — | |
| SCHEMBL348913 | 0.55 | AHR (0.67) | — | |
| SCHEMBL436317 | 0.55 | — | — | |
| Triclofenol SCHEMBL30519893 | 0.52 | AHR (0.42) | — | |
| Triclofenol SCHEMBL2123330 | 0.52 | AHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0470669-B1 | Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines | DOWELANCO (US) | 1997-11-12 | — | — | EP | disclosed |
| US-5164502-A | Fluorinating agents | DOWELANCO (US) | 1992-11-17 | — | — | US | disclosed |
| US-5116982-A | Fluorination | DOWELANCO (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0470669-A2 | Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines | DOWELANCO (US) | 1992-02-12 | — | — | EP | disclosed |