⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2950232 | 0.79 | — | — | |
| SCHEMBL4822731 | 0.79 | — | — | |
| SCHEMBL4824001 | 0.79 | — | — | |
| SCHEMBL10704427 | 0.75 | — | — | |
| SCHEMBL1706457 | 0.74 | — | — | |
| SCHEMBL1707224 | 0.71 | — | — | |
| SCHEMBL1707421 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL9285602 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL8372831 | 0.69 | LMNA (0.40) | — | |
| SCHEMBL3874415 | 0.67 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2295940-A | — | — | None | — | — | JP | disclosed |
| US-5114546-A | Dehalogenation to form unsaturated compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-05-19 | — | — | US | disclosed |
| EP-0308838-B1 | PROCESS FOR THE PRODUCTION OF FLUORINATED ACRYLIC ACIDS AND THEIR DERIVATIVES | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-01-29 | — | — | EP | disclosed |
| JP-H02295940-A | FLUORO-2-T-BUTYLPHENOLS AND PRODUCTION THEREOF | SUMITOMO CHEM CO LTD | 1990-12-06 | — | — | JP | disclosed |
| EP-0308838-A1 | Process for the production of fluorinated acrylic acids and their derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-03-29 | — | — | EP | disclosed |