⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9816047 | 1.00 | — | — | |
| SCHEMBL8970856 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL9321081 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL5073859 | 0.80 | — | — | |
| SCHEMBL5073856 | 0.80 | — | — | |
| SCHEMBL31036888 | 0.74 | L3MBTL1 (0.39) | — | |
| SCHEMBL26477778 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL12288428 | 0.69 | — | — | |
| SCHEMBL18179234 | 0.69 | — | — | |
| SCHEMBL21524758 | 0.67 | — | — |
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-0290903-B1 | BETA-FLUORACYL-BETA-HALOGEN VINYL ALKYL ETHERS | BAYER AG (DE) | 1991-09-11 | — | — | EP | disclosed |
| US-4876393-A | CHEMICAL INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS; INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-24 | — | — | US | disclosed |
| EP-0290903-A2 | Beta-fluoracyl-beta-halogen vinyl alkyl ethers | BAYER AG (DE) | 1988-11-17 | — | — | EP | disclosed |