⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1406532 | 0.85 | NPSR1 (0.42) | — | |
| SCHEMBL18936292 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL18936290 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL1406533 | 0.80 | MAPT (0.37) | — | |
| SCHEMBL18936319 | 0.80 | — | — | |
| SCHEMBL18936317 | 0.80 | — | — | |
| SCHEMBL18936324 | 0.74 | — | — | |
| SCHEMBL18936325 | 0.74 | — | — | |
| SCHEMBL18936335 | 0.72 | — | — | |
| SCHEMBL18936336 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458670-B1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | SALTIGO GMBH (DE) | 2011-03-09 | — | — | EP | disclosed |
| EP-1458670-A1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | Bayer Chemicals AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6706911-B1 | REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | disclosed |
| WO-2003051820-A1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | BAYER CHEMICALS AG (DE) | 2003-06-26 | — | — | WO | disclosed |