⚠ 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 SCHEMBL10799013 | 0.94 | LMNA (0.86) | — | |
| Acetone SCHEMBL5177334 | 0.94 | LMNA (0.86) | — | |
| Acetone SCHEMBL736609 | 0.94 | LMNA (0.86) | — | |
| Acetone SCHEMBL6756411 | 0.94 | — | — | |
| Acetone SCHEMBL8529285 | 0.94 | — | — | |
| Acetone SCHEMBL27619940 | 0.94 | — | — | |
| Acetone SCHEMBL5702367 | 0.94 | — | — | |
| Acetone SCHEMBL3698099 | 0.94 | — | — | |
| Acetone SCHEMBL7086 | 0.94 | — | — | |
| Acetone SCHEMBL23521059 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110552195-A | Composite silk and preparation method thereof | INSTITUTE OF ADVANCED TECHNOLOGY UNIV OF SCIENCE AND TECHNOLOGY OF CHINA | 2019-12-10 | — | — | CN | disclosed |
| CN-110540237-A | nano titanium dioxide, preparation method and application thereof | INSTITUTE OF ADVANCED TECHNOLOGY UNIV OF SCIENCE AND TECHNOLOGY OF CHINA | 2019-12-06 | — | — | CN | disclosed |