⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29089854 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL2526717 | 0.84 | — | — | |
| SCHEMBL24499433 | 0.81 | — | — | |
| SCHEMBL9561617 | 0.79 | — | — | |
| SCHEMBL5165154 | 0.79 | DGAT1 (0.30) | — | |
| SCHEMBL9418240 | 0.79 | — | — | |
| SCHEMBL16409373 | 0.77 | — | — | |
| SCHEMBL9561434 | 0.77 | — | — | |
| SCHEMBL2146364 | 0.77 | DGAT1 (0.36) | — | |
| SCHEMBL5909054 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5319131-A | Reacting dimethyl 2-fluoromalonate with formaldehyde to form hydroxymethylated dimethyl 2-flurormalonate, hydrolysis, decarboxylation, dehydration then esterification with a hexafluoroalkylol | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-07 | — | — | US | disclosed |
| US-5198925-A | α-fluoroacrylic acid esters and polymers thereof | HOECHST AKTIENGESELLSCHAFT | 1993-03-30 | — | — | US | disclosed |
| EP-0203462-B1 | ALPHA-FLUOROACRYLIC-ACID ESTERS AND THEIR POLYMERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-08-01 | — | — | EP | disclosed |
| EP-0282019-A2 | Transparent thermoplastic moulding compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-09-14 | — | — | EP | disclosed |
| EP-0203462-A2 | Alpha-fluoroacrylic-acid esters and their polymers | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-12-03 | — | — | EP | disclosed |