⚠ 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 SCHEMBL27396670 | 0.95 | — | — | |
| Acetone SCHEMBL28156343 | 0.90 | LMNA (0.60) | — | |
| Acetone SCHEMBL27802017 | 0.90 | — | — | |
| Acetone SCHEMBL28158801 | 0.90 | — | — | |
| Acetone SCHEMBL28087023 | 0.90 | — | — | |
| Acetone SCHEMBL28122724 | 0.90 | — | — | |
| Acetone SCHEMBL28109761 | 0.90 | — | — | |
| Acetone SCHEMBL28098072 | 0.90 | — | — | |
| SCHEMBL13716363 | 0.89 | — | — | |
| SCHEMBL88446 | 0.89 | — | — |
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-106823481-A | A kind of organic silicon defoamer and preparation method thereof | 钦州学院 | 2017-06-13 | — | — | CN | disclosed |