⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8560008 | 0.87 | — | — | |
| Phosphine SCHEMBL28158918 | 0.87 | — | — | |
| Phosphine SCHEMBL28229696 | 0.87 | — | — | |
| SCHEMBL28316303 | 0.75 | — | — | |
| Phosphine SCHEMBL28527573 | 0.75 | — | — | |
| Phosphine SCHEMBL27624118 | 0.75 | — | — | |
| Phosphine SCHEMBL8393895 | 0.75 | — | — | |
| Phosphine SCHEMBL9422362 | 0.75 | — | — | |
| Phosphine SCHEMBL29085694 | 0.75 | — | — | |
| Phosphine SCHEMBL28221082 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023220706-A2 | CATALYST, SYSTEM AND METHOD FOR MINERALIZATION OF ORGANIC POLLUTANTS | YALE UNIVERSITY (US) | 2023-11-16 | — | — | WO | disclosed |