⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL30150566 | 0.82 | — | — | |
| Phosphine SCHEMBL28915232 | 0.82 | — | — | |
| Phosphine SCHEMBL336141 | 0.82 | — | — | |
| Phosphine SCHEMBL1149401 | 0.67 | — | — | |
| Water SCHEMBL1700771 | 0.67 | — | — | |
| Phosphine SCHEMBL11813499 | 0.67 | — | — | |
| Phosphine SCHEMBL6864096 | 0.67 | — | — | |
| Phosphine SCHEMBL1775368 | 0.67 | — | — | |
| Phosphine SCHEMBL192233 | 0.67 | — | — | |
| Phosphine SCHEMBL742523 | 0.67 | — | — |
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-4341900-A | Catalytic process for the preparation of unsaturated carboxylic acid | MITSUBISHI RAYON COMPANY, LIMITED (JP) | 1982-07-27 | — | — | US | disclosed |