⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4742418 | 0.59 | — | — | |
| SCHEMBL1758527 | 0.57 | — | — | |
| SCHEMBL2708905 | 0.55 | — | — | |
| SCHEMBL1057638 | 0.55 | — | — | |
| SCHEMBL9827863 | 0.54 | — | — | |
| SCHEMBL2323788 | 0.53 | HTR3A (0.31) | — | |
| SCHEMBL5210176 | 0.53 | — | — | |
| SCHEMBL3578495 | 0.53 | — | — | |
| SCHEMBL1524893 | 0.53 | HTR3A (0.31) | — | |
| SCHEMBL2045009 | 0.53 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5446192-A | Process for the preparation of β- aminoacrylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1995-08-29 | — | — | US | disclosed |