⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL350227 | 0.74 | — | — | |
| Ether SCHEMBL16291469 | 0.72 | ESR1 (0.35) | — | |
| SCHEMBL5201939 | 0.71 | — | — | |
| SCHEMBL3286814 | 0.71 | — | — | |
| Bromide SCHEMBL6296242 | 0.71 | — | — | |
| SCHEMBL164556 | 0.71 | — | — | |
| Ether SCHEMBL1300814 | 0.71 | ALDH1A1 (0.30) | — | |
| Ether SCHEMBL16296434 | 0.69 | ESR1 (0.41) | — | |
| Ether SCHEMBL25245683 | 0.69 | — | — | |
| Ether SCHEMBL10629462 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5600004-A | Process for preparing pentafluorophenyl compounds | ALBEMARLE CORPORATION (US) | 1997-02-04 | — | — | US | disclosed |
| EP-0728761-A2 | Process for preparing pentafluorophenyl compounds | ALBEMARLE CORPORATION (US) | 1996-08-28 | — | — | EP | disclosed |