⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11232281 | 0.75 | — | — | |
| SCHEMBL28101648 | 0.75 | CA1 (0.33) | — | |
| SCHEMBL536768 | 0.73 | — | — | |
| SCHEMBL7860237 | 0.73 | — | — | |
| SCHEMBL7524660 | 0.73 | — | — | |
| SCHEMBL7521024 | 0.73 | — | — | |
| SCHEMBL7524232 | 0.73 | — | — | |
| SCHEMBL7514559 | 0.73 | — | — | |
| SCHEMBL332484 | 0.73 | — | — | |
| SCHEMBL112078 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4536599-A | HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-08-20 | — | — | US | disclosed |
| EP-0040896-B1 | SYNTHESIS OF AMIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-04-25 | — | — | EP | disclosed |
| EP-0040896-A2 | Synthesis of amides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-12-02 | — | — | EP | disclosed |
| EP-0008532-A1 | Synthesis of amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-03-05 | — | — | EP | disclosed |