⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1794749 | 0.95 | — | — | |
| SCHEMBL189912 | 0.95 | — | — | |
| SCHEMBL27853946 | 0.91 | — | — | |
| SCHEMBL28967859 | 0.91 | — | — | |
| Ethane SCHEMBL3971999 | 0.91 | — | — | |
| Propane SCHEMBL4430157 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL2778841 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3853343 | 0.91 | — | — | |
| SCHEMBL28123087 | 0.91 | — | — | |
| SCHEMBL11777783 | 0.87 | AOC3 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105916578-A | Exhaust gas purification catalyst for lean burn engine | 优美科触媒日本有限公司 | 2016-08-31 | — | — | CN | disclosed |