⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9500699 | 0.87 | — | — | |
| SCHEMBL31281180 | 0.75 | — | — | |
| Phosphine SCHEMBL28915232 | 0.71 | — | — | |
| Phosphine SCHEMBL336141 | 0.71 | — | — | |
| Phosphine SCHEMBL30150566 | 0.71 | — | — | |
| Phosphine SCHEMBL7738126 | 0.71 | — | — | |
| SCHEMBL698291 | 0.71 | — | — | |
| SCHEMBL344184 | 0.71 | — | — | |
| SCHEMBL1087790 | 0.71 | — | — | |
| SCHEMBL2456397 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4118419-A | OXIDATION OF ACROLEIN AND METHACROLEIN, CATALYST CONTAINING OXIDES OF PHOSPHORUS, MOLYBDENUM, BISMUTH, AND ANTIMONY | MITSUBISHI RAYON COMPANY, LTD. (JP) | 1978-10-03 | — | — | US | disclosed |