⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9418105 | 0.74 | — | — | |
| SCHEMBL1706465 | 0.74 | — | — | |
| SCHEMBL8343739 | 0.74 | ACLY (0.38) | — | |
| SCHEMBL1706953 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9718530 | 0.72 | — | — | |
| SCHEMBL9447384 | 0.71 | — | — | |
| SCHEMBL2029664 | 0.71 | — | — | |
| SCHEMBL18398859 | 0.70 | — | — | |
| SCHEMBL9620357 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL9250976 | 0.69 | — | — |
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-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 |
| EP-0308838-A1 | Process for the production of fluorinated acrylic acids and their derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-03-29 | — | — | EP | disclosed |