⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2838298 | 0.87 | — | — | |
| SCHEMBL28822912 | 0.75 | — | — | |
| SCHEMBL1702386 | 0.75 | — | — | |
| SCHEMBL760750 | 0.71 | — | — | |
| SCHEMBL308470 | 0.71 | — | — | |
| SCHEMBL612516 | 0.71 | — | — | |
| SCHEMBL332219 | 0.71 | — | — | |
| SCHEMBL9245385 | 0.71 | — | — | |
| SCHEMBL1045235 | 0.71 | — | — | |
| SCHEMBL27769438 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120149933-A1 | AMMOXIDATION CATALYST AND METHOD FOR PRODUCING NITRILE COMPOUND USING THE SAME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2012-06-14 | — | — | US | disclosed |
| EP-2441514-A1 | AMMOXIDATION CATALYST AND METHOD FOR PRODUCING NITRILE COMPOUND USING THE SAME | Mitsubishi Gas Chemical Company, Inc. (JP) | 2012-04-18 | — | — | EP | disclosed |