⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6671737 | 0.71 | CYP2C9 (0.34) | — | |
| SCHEMBL3831081 | 0.65 | — | — | |
| SCHEMBL70056 | 0.62 | CA2 (0.41) | — | |
| SCHEMBL8845415 | 0.58 | — | — | |
| SCHEMBL5612953 | 0.58 | — | — | |
| SCHEMBL5081909 | 0.58 | CA2 (0.35) | — | |
| SCHEMBL16402425 | 0.57 | CA2 (0.37) | — | |
| SCHEMBL27846689 | 0.57 | — | — | |
| SCHEMBL28619592 | 0.57 | LMNA (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL1731634 | 0.56 | ALDH1A1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458670-A1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | Bayer Chemicals AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051820-A1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | BAYER CHEMICALS AG (DE) | 2003-06-26 | — | — | WO | disclosed |