⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11228870 | 0.77 | — | — | |
| SCHEMBL11228868 | 0.77 | — | — | |
| SCHEMBL8282463 | 0.74 | — | — | |
| SCHEMBL575679 | 0.74 | — | — | |
| SCHEMBL575680 | 0.74 | — | — | |
| SCHEMBL11188643 | 0.74 | — | — | |
| SCHEMBL8641390 | 0.74 | — | — | |
| SCHEMBL2987718 | 0.72 | — | — | |
| SCHEMBL10376054 | 0.72 | — | — | |
| SCHEMBL2987716 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0110089-A2 | Polymer-bound alkyl diarylphosphinite catalyst compositions and processes for making same and using same for selective conversion of acrylonitrile into 1,4-dicyano-1-butene | ALLIED CORPORATION (US) | 1984-06-13 | — | — | EP | disclosed |