⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9575524 | 0.82 | HPGD (0.33) | — | |
| SCHEMBL9575362 | 0.80 | — | — | |
| SCHEMBL9575228 | 0.77 | — | — | |
| SCHEMBL9575167 | 0.76 | POLB (0.37) | — | |
| SCHEMBL9656607 | 0.76 | KDM4E (0.37) | — | |
| SCHEMBL9578925 | 0.74 | CYP1A2 (0.33) | — | |
| SCHEMBL9579561 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL9575374 | 0.73 | CA1 (0.38) | — | |
| SCHEMBL9575429 | 0.72 | CYP1A2 (0.37) | — | |
| SCHEMBL9575667 | 0.72 | PDK1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5266668-A | Substituted phenyl α-fluoroacrylates | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-11-30 | — | — | US | disclosed |
| EP-0249867-B1 | SUBSTITUTED PHENYL ESTERS OF ALPHA-FLUOROACRYLIC ACID | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-01-02 | — | — | EP | disclosed |
| EP-0249867-A2 | Substituted phenyl esters of alpha-fluoroacrylic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-12-23 | — | — | EP | disclosed |