⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL3132197 | 0.90 | — | — | |
| SCHEMBL18967373 | 0.90 | — | — | |
| SCHEMBL8202573 | 0.82 | — | — | |
| SCHEMBL13772063 | 0.82 | — | — | |
| SCHEMBL36159 | 0.79 | CYP2C9 (0.44) | — | |
| SCHEMBL6914980 | 0.76 | CYP2C9 (0.42) | — | |
| SCHEMBL28251936 | 0.76 | CYP2C9 (0.42) | — | |
| SCHEMBL28251937 | 0.76 | CYP2C9 (0.42) | — | |
| SCHEMBL12586052 | 0.74 | — | — | |
| SCHEMBL22082794 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4043927-A | Friction or tractive drive containing ethers of adamantanes | SUN VENTURES, INC. (US) | 1977-08-23 | — | — | US | disclosed |
| US-4008251-A | TRACTION FLUID ADDITIVES | SUN OIL COMPANY, (SUN RESEARCH AND DEVELOPMENT CO.) | 1977-02-15 | — | — | US | disclosed |