⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9856049 | 0.75 | — | — | |
| SCHEMBL27029339 | 0.66 | — | — | |
| SCHEMBL4550217 | 0.65 | — | — | |
| SCHEMBL1502910 | 0.65 | — | — | |
| SCHEMBL9661894 | 0.64 | FFAR3 (0.31) | — | |
| SCHEMBL25636320 | 0.63 | — | — | |
| SCHEMBL25002994 | 0.60 | — | — | |
| SCHEMBL15351668 | 0.60 | — | — | |
| SCHEMBL1502907 | 0.60 | — | — | |
| SCHEMBL8355299 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0398061-B1 | Method of preparing alpha-fluoroacrylic acid derivatives and 1,1-difluoro-2-halogenoethyl(halogeno)methyl-ketones | BAYER AG (DE) | 1994-01-26 | — | — | EP | disclosed |
| US-5075494-A | Process for the preparation of α-fluoroacrylic acid derivatives and new 1,1-difluoro-2-halogenoethyl (halogeno) methyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-24 | — | — | US | disclosed |
| EP-0398061-A2 | Method of preparing alpha-fluoroacrylic acid derivatives and 1,1-difluoro-2-halogenoethyl(halogeno)methyl-ketones | BAYER AG (DE) | 1990-11-22 | — | — | EP | disclosed |