⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9303793 | 0.93 | — | — | |
| SCHEMBL6645101 | 0.78 | — | — | |
| SCHEMBL29637725 | 0.76 | NOS2 (0.41) | — | |
| SCHEMBL15116589 | 0.76 | — | — | |
| SCHEMBL1982532 | 0.76 | — | — | |
| SCHEMBL30425687 | 0.74 | NOS2 (0.40) | — | |
| SCHEMBL7211374 | 0.74 | NOS2 (0.50) | — | |
| SCHEMBL7454047 | 0.74 | NOS2 (0.40) | — | |
| SCHEMBL12500265 | 0.73 | NOS2 (0.39) | — | |
| SCHEMBL28134427 | 0.73 | NOS2 (0.39) | — |
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-5334730-A | Amidation with an 2-aminocarboxylic acid ester, cleavage the amide bond, solvent extraction to isolate | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1994-08-02 | — | — | US | disclosed |