⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL526042 | 1.00 | — | — | |
| Water SCHEMBL27457045 | 0.95 | — | — | |
| Water SCHEMBL28482678 | 0.95 | — | — | |
| SCHEMBL28712763 | 0.95 | — | — | |
| SCHEMBL25523 | 0.94 | — | — | |
| Water SCHEMBL27579334 | 0.91 | — | — | |
| SCHEMBL5934110 | 0.89 | — | — | |
| Phosphine SCHEMBL3457955 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL6899977 | 0.89 | — | — | |
| SCHEMBL21044699 | 0.89 | — | — |
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-1816182-A1 | LUBRICATING OIL COMPOSITION | Nippon Oil Corporation (JP) | 2007-08-08 | — | — | EP | disclosed |