⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179937 | 0.97 | — | — | |
| SCHEMBL8767405 | 0.97 | ALDH1A1 (0.58) | — | |
| SCHEMBL28195391 | 0.97 | ALDH1A1 (0.58) | — | |
| SCHEMBL30956634 | 0.94 | — | — | |
| Ethane SCHEMBL10511780 | 0.94 | — | — | |
| Methane SCHEMBL28227565 | 0.94 | ALDH1A1 (0.55) | — | |
| SCHEMBL10987854 | 0.94 | — | — | |
| Ethylene SCHEMBL1609929 | 0.94 | — | — | |
| Methane SCHEMBL4802378 | 0.94 | ALDH1A1 (0.55) | — | |
| Acetone SCHEMBL11327456 | 0.94 | ALDH1A1 (0.55) | — |
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-107868396-A | A kind of antibacterial antistatic packing film and preparation method thereof | 苏州经贸职业技术学院 | 2018-04-03 | — | — | CN | claimed |