⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16220976 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL12909212 | 0.73 | — | — | |
| SCHEMBL2029664 | 0.73 | — | — | |
| SCHEMBL810059 | 0.73 | — | — | |
| SCHEMBL810327 | 0.73 | — | — | |
| SCHEMBL810721 | 0.72 | TRPA1 (0.30) | — | |
| SCHEMBL9418541 | 0.71 | — | — | |
| SCHEMBL9418547 | 0.71 | — | — | |
| SCHEMBL124958 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL1604439 | 0.71 | — | — |
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 6 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 |