⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL10645016 | 0.88 | — | — | |
| Acetone SCHEMBL15517363 | 0.88 | — | — | |
| Acetone SCHEMBL4400460 | 0.88 | — | — | |
| Acetone SCHEMBL662 | 0.87 | — | — | |
| Acetone SCHEMBL5665105 | 0.87 | LMNA (1.00) | — | |
| Acetone SCHEMBL528137 | 0.87 | LMNA (1.00) | — | |
| Acetone SCHEMBL1330194 | 0.87 | — | — | |
| Acetone SCHEMBL10051943 | 0.87 | — | — | |
| Acetone SCHEMBL10051950 | 0.87 | — | — | |
| Acetone SCHEMBL7459124 | 0.87 | — | — |
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-104556888-B | A kind of asphalt and preparation method thereof | SINOPEC CORP. (CN) | 2016-05-18 | — | — | CN | disclosed |