⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10597201 | 0.74 | — | — | |
| SCHEMBL1465889 | 0.72 | — | — | |
| SCHEMBL840800 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL250899 | 0.67 | — | — | |
| SCHEMBL8190321 | 0.67 | — | — | |
| SCHEMBL11123617 | 0.67 | — | — | |
| SCHEMBL483875 | 0.65 | — | — | |
| Water SCHEMBL28177570 | 0.63 | — | — | |
| SCHEMBL14599815 | 0.63 | — | — | |
| SCHEMBL29978 | 0.63 | — | — |
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-5726339-A | OXIDATION RESISTANCE FOR EXTREME PRESSURE LUBRICANTS AND HYDRAULIC FLUIDS | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-03-10 | — | — | US | disclosed |