⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1899759 | 0.85 | ALDH1A1 (0.47) | — | |
| SCHEMBL14842937 | 0.85 | ALDH1A1 (0.47) | — | |
| Ethylene SCHEMBL11644957 | 0.79 | ALDH1A1 (0.42) | — | |
| Ethylene SCHEMBL11644945 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL4564186 | 0.77 | — | — | |
| SCHEMBL4761492 | 0.74 | — | — | |
| SCHEMBL27783394 | 0.74 | — | — | |
| SCHEMBL22220594 | 0.74 | — | — | |
| SCHEMBL3977043 | 0.72 | — | — | |
| SCHEMBL11937917 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1200109-A | Fluorobutenamides | BAYER AG (DE) | 1998-11-25 | — | — | CN | disclosed |
| EP-0848698-A1 | FLUOROBUTENE ACID AMIDES | BAYER AG (DE) | 1998-06-24 | — | — | EP | disclosed |
| WO-1997008132-A1 | FLUOROBUTENE ACID AMIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-03-06 | — | — | WO | disclosed |